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Acta Crystallogr Sect E Struct Rep Online. 2009 May 1; 65(Pt 5): m595.
Published online 2009 April 30. doi:  10.1107/S1600536809015116
PMCID: PMC2977631

Bis(N-benzyl-N-isopropyl­dithio­carbamato-κS)di-n-butyl­tin(IV)

Abstract

The Sn atom in the title compound, [Sn(C4H9)2(C11H14NS2)2], exists in a tetra­hedral C2S2Sn coordination geometry. The geometry is distorted towards skew-trapezoidal-bipyramidal owing to the proximity of the double-bonded S atoms. The C2Sn angles range from 129.0 (2) to 136.9 (2)°, the covalent Sn—S lengths from 2.529 (1) to 2.544 (1) Å, and the dative Sn←S lengths from 2.831 (1) to 3.042 (1) Å in the five independent mol­ecules comprising the asymmetric unit. Two of the butyl groups were modelled over two positions of equal occupancy. All butyl groups were refined with distance restraints.

Related literature

For other di-n-butyl­tin dithio­carbamates, see: Farina et al. (2000 [triangle]); Lokaj et al. (1986 [triangle]); Menezes et al. (2005 [triangle]); Vrábel et al. (1992a [triangle],b [triangle]); Vrábel & Kellö (1993 [triangle]); Zia-ur-Rehman et al. (2006 [triangle]). For a review of the applications and structures of tin dithio­carbamates, see: Tiekink (2008 [triangle]).

An external file that holds a picture, illustration, etc.
Object name is e-65-0m595-scheme1.jpg

Experimental

Crystal data

  • [Sn(C4H9)2(C11H14NS2)2]
  • M r = 681.62
  • Triclinic, An external file that holds a picture, illustration, etc.
Object name is e-65-0m595-efi1.jpg
  • a = 17.7745 (2) Å
  • b = 19.5463 (3) Å
  • c = 26.2062 (4) Å
  • α = 102.5254 (7)°
  • β = 95.1492 (7)°
  • γ = 110.2569 (8)°
  • V = 8202.1 (2) Å3
  • Z = 10
  • Mo Kα radiation
  • μ = 1.06 mm−1
  • T = 123 K
  • 0.30 × 0.30 × 0.10 mm

Data collection

  • Bruker SMART APEX diffractometer
  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996 [triangle]) T min = 0.743, T max = 0.902
  • 67722 measured reflections
  • 36923 independent reflections
  • 23409 reflections with I > 2σ(I)
  • R int = 0.028

Refinement

  • R[F 2 > 2σ(F 2)] = 0.046
  • wR(F 2) = 0.139
  • S = 1.15
  • 36923 reflections
  • 1684 parameters
  • 96 restraints
  • H-atom parameters constrained
  • Δρmax = 2.53 e Å−3
  • Δρmin = −1.45 e Å−3

Data collection: APEX2 (Bruker, 2008 [triangle]); cell refinement: SAINT (Bruker, 2008 [triangle]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 [triangle]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 [triangle]); molecular graphics: X-SEED (Barbour, 2001 [triangle]); software used to prepare material for publication: publCIF (Westrip, 2009 [triangle]).

Supplementary Material

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536809015116/tk2429sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809015116/tk2429Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

Acknowledgments

We thank Universiti Kebangsaan Malaysia and the University of Malaya for supporting this study.

supplementary crystallographic information

Experimental

Carbon disulfide (4 ml, 0.06 mol) was added to benzylisopropylamine (8 ml, 0.06 mol) in ethanol (50 ml) at 277 K. Dibutyltin dichloride (9.1 g, 0.03 mol) dissolved in ethanol (50 ml) was added. The white solid that precipitated was collected and recrystallized from an ethanol-chloroform mixture.

Refinement

Somewhat tight distances restraints (1,2-related carbon-carbon distances were restrained to 1.540±0.005 Å and 1,3-related ones to 2.510±0.010 Å) were imposed on all butyl chains. Two of the chains are disordered over two positions; for these, the temperature factors of the primed atoms were restrained to those of the unprimed ones; their anisotropic displacement parameters were restrained to be nearly isotropic. The occupancy was arbitrarily fixed as 50:50.

Carbon-bound H-atoms were placed in calculated positions (C—H 0.95 to 0.99 Å) and were included in the refinement in the riding model approximation, with U(H) set to 1.2 to 1.5U(C). The final difference Fourier map had a large peak/deep hole in the vicinity of the Sn3 atom.

Figures

Fig. 1.
Thermal ellipsoid plot (Barbour, 2001) of one of the five independent molecules of dibutyldi(N- benzyl-N-isopropyldithiocarbamato)tin at the 70% probability level. Hydrogen atoms are drawn as spheres of arbitrary radius. The disorder is not shown.

Crystal data

[Sn(C4H9)2(C11H14NS2)2]Z = 10
Mr = 681.62F(000) = 3540
Triclinic, P1Dx = 1.380 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 17.7745 (2) ÅCell parameters from 9858 reflections
b = 19.5463 (3) Åθ = 2.2–28.3°
c = 26.2062 (4) ŵ = 1.06 mm1
α = 102.5254 (7)°T = 123 K
β = 95.1492 (7)°Block, colorless
γ = 110.2569 (8)°0.30 × 0.30 × 0.10 mm
V = 8202.1 (2) Å3

Data collection

Bruker SMART APEX diffractometer36923 independent reflections
Radiation source: fine-focus sealed tube23409 reflections with I > 2σ(I)
graphiteRint = 0.028
ω scansθmax = 27.5°, θmin = 0.8°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)h = −23→23
Tmin = 0.743, Tmax = 0.902k = −24→25
67722 measured reflectionsl = −32→34

Refinement

Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.046Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.139H-atom parameters constrained
S = 1.15w = 1/[σ2(Fo2) + (0.05P)2 + 5P] where P = (Fo2 + 2Fc2)/3
36923 reflections(Δ/σ)max = 0.001
1684 parametersΔρmax = 2.53 e Å3
96 restraintsΔρmin = −1.45 e Å3

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2)

xyzUiso*/UeqOcc. (<1)
Sn10.232256 (17)0.439810 (18)1.019238 (11)0.02370 (8)
Sn20.175644 (17)0.150825 (18)0.783916 (12)0.02621 (8)
Sn30.639428 (17)0.036822 (17)0.818119 (11)0.02389 (8)
Sn40.571833 (17)−0.249780 (17)0.598326 (12)0.02604 (8)
Sn50.031055 (17)−0.358358 (17)0.608830 (11)0.02252 (8)
S10.12379 (6)0.47805 (6)0.97841 (4)0.0258 (2)
S20.13011 (6)0.33223 (7)0.92277 (4)0.0275 (3)
S30.26314 (6)0.56663 (6)1.08468 (4)0.0231 (2)
S40.36647 (6)0.48533 (6)1.11426 (4)0.0258 (2)
S50.28552 (7)0.11337 (6)0.82395 (4)0.0282 (3)
S60.27648 (6)0.25794 (6)0.88035 (4)0.0264 (3)
S70.14437 (6)0.02626 (6)0.71619 (4)0.0263 (2)
S80.04118 (7)0.10898 (7)0.68910 (5)0.0308 (3)
S90.52819 (7)0.07056 (7)0.77536 (4)0.0284 (3)
S100.54200 (6)−0.07283 (7)0.72210 (4)0.0273 (3)
S110.66700 (7)0.16165 (6)0.88444 (4)0.0272 (2)
S120.77308 (7)0.08198 (7)0.91306 (5)0.0329 (3)
S130.68694 (6)−0.28802 (6)0.63039 (4)0.0242 (2)
S140.68046 (7)−0.14425 (6)0.69001 (4)0.0264 (2)
S150.53479 (7)−0.37098 (7)0.52521 (4)0.0308 (3)
S160.42879 (7)−0.28494 (8)0.51283 (6)0.0480 (4)
S17−0.08574 (6)−0.32517 (6)0.57251 (4)0.0233 (2)
S18−0.06705 (6)−0.46318 (6)0.51304 (4)0.0232 (2)
S190.05551 (7)−0.24046 (7)0.68313 (4)0.0293 (3)
S200.17120 (6)−0.31553 (7)0.69985 (4)0.0278 (3)
N10.0105 (2)0.3789 (2)0.89688 (13)0.0221 (8)
N20.37929 (19)0.6216 (2)1.17057 (13)0.0219 (8)
N30.39919 (19)0.21452 (19)0.90461 (13)0.0210 (8)
N40.01806 (19)−0.0318 (2)0.63640 (13)0.0236 (8)
N50.4276 (2)−0.0265 (2)0.68725 (14)0.0280 (8)
N60.7859 (2)0.2184 (2)0.96880 (13)0.0261 (8)
N70.8023 (2)−0.19025 (19)0.71167 (14)0.0249 (8)
N80.4064 (2)−0.4179 (2)0.44738 (14)0.0302 (9)
N9−0.18603 (19)−0.4187 (2)0.48321 (13)0.0222 (8)
N100.1859 (2)−0.1811 (2)0.76023 (14)0.0270 (8)
C10.1753 (3)0.3562 (2)1.0593 (2)0.0382 (12)
H1A0.19030.37701.09830.046*0.50
H1B0.11520.33581.04880.046*0.50
H1C0.17330.38511.09480.046*0.50
H1D0.11810.33081.04030.046*0.50
C20.2103 (5)0.2953 (4)1.0399 (3)0.0259 (14)0.50
H2A0.20070.28081.00050.031*0.50
H2B0.26990.31661.05280.031*0.50
C30.1721 (5)0.2261 (4)1.0591 (4)0.0349 (16)0.50
H3A0.18320.24141.09840.042*0.50
H3B0.11230.20711.04740.042*0.50
C40.2001 (10)0.1625 (6)1.0405 (5)0.040 (2)0.50
H4A0.15260.11521.02640.060*0.50
H4B0.23370.15811.07050.060*0.50
H4C0.23230.17261.01260.060*0.50
C2'0.2005 (5)0.2940 (4)1.0690 (3)0.0259 (14)0.50
H2C0.17180.27271.09610.031*0.50
H2D0.25980.31411.08260.031*0.50
C3'0.1797 (6)0.2330 (4)1.0179 (3)0.0349 (16)0.50
H3C0.12100.21681.00330.042*0.50
H3D0.21100.25460.99200.042*0.50
C4'0.1967 (10)0.1647 (6)1.0232 (5)0.040 (2)0.50
H4D0.14510.12161.01770.060*0.50
H4E0.22720.17501.05890.060*0.50
H4F0.22890.15290.99670.060*0.50
C50.3345 (2)0.4515 (3)0.97928 (15)0.0312 (11)
H5A0.38420.48601.00530.037*
H5B0.33900.40140.96950.037*
C60.3358 (3)0.4798 (3)0.93039 (17)0.0459 (14)
H6A0.28740.44520.90330.055*
H6B0.33220.53030.93940.055*
C70.4112 (3)0.4854 (3)0.90716 (17)0.0412 (13)
H7A0.45910.51820.93520.049*
H7B0.41350.43440.89790.049*
C80.4201 (4)0.5152 (5)0.8592 (2)0.087 (3)
H8A0.47110.51550.84770.130*
H8B0.42080.56680.86790.130*
H8C0.37410.48270.83050.130*
C90.0811 (2)0.3927 (2)0.92808 (15)0.0176 (8)
C10−0.0271 (2)0.4356 (3)0.90241 (18)0.0285 (10)
H10A−0.01610.46310.94040.034*
H10B−0.08690.40890.89150.034*
C110.0017 (3)0.4929 (2)0.87057 (16)0.0269 (10)
C12−0.0439 (3)0.5376 (3)0.8654 (2)0.0406 (13)
H12−0.09070.53130.88160.049*
C13−0.0212 (3)0.5907 (3)0.8369 (2)0.0503 (15)
H13−0.05270.62050.83340.060*
C140.0469 (4)0.6011 (3)0.8135 (2)0.0497 (15)
H140.06200.63780.79380.060*
C150.0928 (3)0.5582 (3)0.81852 (19)0.0425 (13)
H150.13960.56510.80230.051*
C160.0706 (3)0.5046 (3)0.84753 (18)0.0321 (11)
H160.10320.47580.85150.038*
C17−0.0297 (3)0.3055 (3)0.85548 (17)0.0295 (10)
H17−0.01030.26790.86700.035*
C18−0.1227 (3)0.2748 (3)0.84989 (19)0.0400 (12)
H18A−0.13760.27160.88460.060*
H18B−0.14590.22440.82490.060*
H18C−0.14400.30890.83660.060*
C19−0.0048 (3)0.3113 (3)0.80264 (18)0.0421 (13)
H19A0.05480.33050.80700.063*
H19B−0.02510.34600.78930.063*
H19C−0.02790.26120.77720.063*
C200.3412 (2)0.5626 (2)1.12744 (15)0.0180 (8)
C210.3577 (2)0.6888 (2)1.18152 (16)0.0224 (9)
H21A0.33190.69271.14770.027*
H21B0.40830.73431.19540.027*
C220.3001 (2)0.6880 (2)1.22118 (15)0.0202 (9)
C230.2312 (2)0.6243 (2)1.21723 (16)0.0231 (9)
H230.21960.57991.18940.028*
C240.1792 (3)0.6250 (3)1.25352 (17)0.0290 (10)
H240.13200.58121.25040.035*
C250.1961 (3)0.6892 (3)1.29407 (18)0.0360 (12)
H250.16000.69021.31860.043*
C260.2656 (3)0.7521 (3)1.29898 (18)0.0385 (12)
H260.27820.79581.32770.046*
C270.3167 (3)0.7520 (3)1.26246 (17)0.0291 (10)
H270.36360.79601.26560.035*
C280.4493 (2)0.6239 (3)1.20749 (16)0.0278 (10)
H280.44580.57061.20230.033*
C290.4449 (3)0.6526 (4)1.26458 (18)0.0579 (18)
H29A0.39180.62301.27170.087*
H29B0.45150.70591.27180.087*
H29C0.48840.64781.28750.087*
C300.5282 (3)0.6670 (4)1.1931 (2)0.0596 (18)
H30A0.52820.64541.15560.089*
H30B0.57340.66391.21550.089*
H30C0.53460.72011.19860.089*
C310.0746 (3)0.1377 (3)0.82472 (16)0.0340 (11)
H31A0.07390.18860.83930.041*
H31B0.02400.10850.79810.041*
C320.0708 (2)0.0998 (3)0.86955 (16)0.0379 (12)
H32A0.12120.12740.89660.046*
H32B0.06740.04730.85550.046*
C33−0.0026 (3)0.0986 (3)0.89513 (19)0.0471 (14)
H33A0.00360.15140.91130.056*
H33B−0.05190.07560.86700.056*
C34−0.0157 (3)0.0561 (3)0.9371 (2)0.0588 (17)
H34A−0.06410.05820.95150.088*
H34B0.03210.07920.96570.088*
H34C−0.02360.00330.92130.088*
C350.2309 (3)0.2365 (2)0.74597 (19)0.0369 (12)
H35A0.29080.25780.75790.044*
H35B0.21920.21480.70700.044*
C360.1971 (3)0.2984 (3)0.7601 (2)0.0528 (15)
H36A0.13730.27610.74740.063*
H36B0.20670.31740.79930.063*
C370.2324 (4)0.3634 (3)0.7376 (3)0.075 (2)
H37A0.21560.34610.69840.090*
H37B0.29260.38130.74570.090*
C380.2067 (4)0.4285 (3)0.7587 (3)0.0600 (17)
H38A0.23280.47000.74300.090*
H38B0.22340.44610.79750.090*
H38C0.14740.41180.74940.090*
C390.3278 (2)0.1983 (2)0.87374 (15)0.0169 (8)
C400.4393 (2)0.1594 (3)0.89916 (18)0.0277 (10)
H40A0.49840.18720.91310.033*
H40B0.43300.13520.86090.033*
C410.4080 (2)0.0982 (2)0.92699 (16)0.0242 (10)
C420.4479 (3)0.0478 (3)0.92573 (19)0.0355 (12)
H420.49310.05330.90800.043*
C430.4217 (3)−0.0101 (3)0.9501 (2)0.0491 (15)
H430.4482−0.04500.94820.059*
C440.3580 (3)−0.0180 (3)0.9770 (2)0.0463 (14)
H440.3414−0.05730.99440.056*
C450.3180 (3)0.0312 (3)0.9789 (2)0.0426 (13)
H450.27350.02570.99730.051*
C460.3430 (3)0.0892 (3)0.95364 (19)0.0340 (11)
H460.31500.12290.95480.041*
C470.4395 (2)0.2887 (2)0.94499 (16)0.0256 (10)
H470.41740.32470.93360.031*
C480.4180 (3)0.2841 (3)0.99917 (18)0.0395 (12)
H48A0.35860.26320.99610.059*
H48B0.44040.33481.02380.059*
H48C0.44120.25121.01260.059*
C490.5320 (2)0.3218 (3)0.94771 (18)0.0326 (11)
H49A0.54380.32390.91210.049*
H49B0.55640.28960.96100.049*
H49C0.55490.37290.97180.049*
C500.0624 (2)0.0298 (2)0.67701 (16)0.0203 (9)
C510.0444 (2)−0.0955 (2)0.62089 (16)0.0241 (9)
H51A−0.0041−0.14330.61060.029*
H51B0.0794−0.09680.65200.029*
C520.0911 (2)−0.0914 (2)0.57531 (16)0.0233 (9)
C530.1626 (3)−0.0300 (3)0.57913 (18)0.0302 (10)
H530.18220.01050.61060.036*
C540.2052 (3)−0.0270 (3)0.53796 (19)0.0346 (11)
H540.25410.01510.54110.041*
C550.1766 (3)−0.0858 (3)0.4917 (2)0.0419 (13)
H550.2062−0.08430.46320.050*
C560.1053 (3)−0.1461 (3)0.4872 (2)0.0458 (14)
H560.0853−0.18570.45520.055*
C570.0623 (3)−0.1499 (3)0.52883 (18)0.0361 (12)
H570.0135−0.19210.52560.043*
C58−0.0575 (2)−0.0350 (3)0.60476 (18)0.0344 (12)
H58−0.07660.00190.62710.041*
C59−0.0408 (3)−0.0100 (3)0.5559 (2)0.0471 (14)
H59A0.00280.04030.56540.071*
H59B−0.0903−0.00780.53780.071*
H59C−0.0240−0.04600.53210.071*
C60−0.1255 (3)−0.1117 (3)0.5922 (2)0.0563 (17)
H60A−0.1738−0.11090.57150.084*
H60B−0.1388−0.12410.62540.084*
H60C−0.1081−0.14990.57160.084*
C610.5850 (2)−0.0514 (2)0.85512 (17)0.0279 (10)
H61A0.5931−0.02960.89390.033*
H61B0.5257−0.07530.84120.033*
C620.6226 (2)−0.1104 (2)0.84437 (17)0.0301 (10)
H62A0.6172−0.12950.80550.036*
H62B0.6815−0.08620.85960.036*
C630.5850 (3)−0.1763 (2)0.8668 (2)0.0445 (13)
H63A0.5252−0.19680.85490.053*
H63B0.5961−0.15810.90610.053*
C640.6158 (3)−0.2392 (3)0.8509 (2)0.0492 (14)
H64A0.5889−0.28000.86690.074*
H64B0.6749−0.21980.86320.074*
H64C0.6037−0.25870.81210.074*
C650.7446 (3)0.0529 (3)0.78004 (16)0.0375 (12)
H65A0.79150.09410.80500.045*
H65B0.75640.00630.77540.045*
C660.7418 (3)0.0712 (3)0.72747 (18)0.0474 (14)
H66A0.72980.11770.73110.057*
H66B0.69700.02940.70130.057*
C670.8207 (3)0.0827 (3)0.70708 (19)0.0529 (15)
H67A0.86450.12680.73220.063*
H67B0.83460.03780.70660.063*
C680.8193 (4)0.0954 (5)0.6528 (2)0.084 (2)
H68A0.87260.10240.64250.125*
H68B0.80710.14060.65290.125*
H68C0.77730.05140.62720.125*
C690.4934 (2)−0.0124 (2)0.72396 (15)0.0202 (9)
C700.3804 (3)0.0228 (3)0.69312 (19)0.0350 (11)
H70A0.38370.04400.73150.042*
H70B0.3225−0.00890.67780.042*
C710.4067 (3)0.0873 (3)0.66764 (17)0.0313 (11)
C720.3584 (3)0.1296 (3)0.6668 (2)0.0421 (13)
H720.31150.11870.68310.050*
C730.3784 (3)0.1875 (3)0.6425 (2)0.0524 (16)
H730.34540.21670.64250.063*
C740.4450 (4)0.2036 (3)0.6180 (2)0.0555 (17)
H740.45700.24260.60030.067*
C750.4950 (3)0.1625 (3)0.6193 (2)0.0477 (14)
H750.54180.17370.60290.057*
C760.4756 (3)0.1050 (3)0.64475 (19)0.0373 (12)
H760.51020.07750.64650.045*
C770.3970 (3)−0.0965 (3)0.64221 (18)0.0320 (11)
H770.4435−0.11340.63730.038*
C780.3687 (3)−0.0837 (3)0.59042 (19)0.0479 (14)
H78A0.4127−0.04280.58250.072*
H78B0.3210−0.06980.59320.072*
H78C0.3541−0.13020.56190.072*
C790.3304 (3)−0.1594 (3)0.6568 (2)0.0458 (13)
H79A0.3510−0.16620.69050.069*
H79B0.3150−0.20670.62880.069*
H79C0.2827−0.14570.66030.069*
C800.7481 (2)0.1587 (2)0.92652 (15)0.0206 (9)
C810.7632 (2)0.2844 (2)0.98009 (16)0.0252 (10)
H81A0.73550.28730.94660.030*
H81B0.81350.33040.99300.030*
C820.7079 (2)0.2838 (2)1.02081 (16)0.0236 (9)
C830.7263 (3)0.3477 (3)1.06246 (19)0.0373 (12)
H830.77340.39141.06510.045*
C840.6770 (3)0.3486 (3)1.1001 (2)0.0447 (13)
H840.69080.39231.12890.054*
C850.6075 (3)0.2859 (3)1.0959 (2)0.0463 (14)
H850.57250.28701.12120.056*
C860.5890 (3)0.2210 (3)1.05468 (19)0.0350 (11)
H860.54180.17741.05200.042*
C870.6395 (2)0.2205 (3)1.01777 (17)0.0258 (10)
H870.62720.17600.98990.031*
C880.8572 (3)0.2209 (3)1.00522 (17)0.0341 (12)
H880.85110.16731.00230.041*
C890.9346 (3)0.2579 (4)0.9872 (2)0.0645 (19)
H89A0.93120.23230.95010.097*
H89B0.98010.25481.00940.097*
H89C0.94350.31120.99040.097*
C900.8588 (3)0.2559 (4)1.0620 (2)0.068 (2)
H90A0.80640.23021.07190.102*
H90B0.86850.30961.06710.102*
H90C0.90270.25071.08450.102*
C910.6223 (2)−0.1645 (2)0.55824 (16)0.0267 (10)
H91A0.6825−0.14400.56850.032*
H91B0.6086−0.18830.51950.032*
C920.5935 (2)−0.0999 (2)0.56962 (16)0.0260 (10)
H92A0.6093−0.07440.60810.031*
H92B0.5332−0.12030.56060.031*
C930.6277 (3)−0.0423 (2)0.53913 (18)0.0369 (12)
H93A0.6879−0.02530.54570.044*
H93B0.6080−0.06690.50070.044*
C940.6047 (3)0.0260 (3)0.5536 (2)0.0510 (15)
H94A0.62940.06120.53280.076*
H94B0.62460.05120.59160.076*
H94C0.54530.01000.54590.076*
C950.4772 (3)−0.2775 (3)0.6439 (2)0.062 (2)
H95A0.4698−0.22960.65860.075*0.50
H95B0.4270−0.31040.61780.075*0.50
H95C0.4551−0.23690.64980.075*0.50
H95D0.4325−0.32490.62320.075*0.50
C960.4764 (6)−0.3133 (8)0.6880 (4)0.071 (3)0.50
H96A0.5268−0.28470.71490.085*0.50
H96B0.4732−0.36590.67460.085*0.50
C970.4018 (5)−0.3128 (6)0.7125 (4)0.0449 (19)0.50
H97A0.4075−0.25990.72770.054*0.50
H97B0.3524−0.33740.68450.054*0.50
C980.3925 (7)−0.3535 (7)0.7551 (4)0.069 (3)0.50
H98A0.3393−0.36080.76550.103*0.50
H98B0.4358−0.32350.78590.103*0.50
H98C0.3963−0.40280.74170.103*0.50
C96'0.5050 (5)−0.2873 (8)0.6971 (4)0.071 (3)0.50
H96C0.5436−0.31340.69180.085*0.50
H96D0.5364−0.23610.72090.085*0.50
C97'0.4438 (5)−0.3289 (5)0.7268 (3)0.0449 (19)0.50
H97C0.4107−0.37950.70280.054*0.50
H97D0.4742−0.33680.75710.054*0.50
C98'0.3861 (7)−0.2938 (8)0.7480 (5)0.069 (3)0.50
H98D0.3706−0.30980.77980.103*0.50
H98E0.3373−0.31000.72090.103*0.50
H98F0.4129−0.23850.75730.103*0.50
C990.7298 (2)−0.2053 (2)0.68204 (15)0.0211 (9)
C1000.8413 (2)−0.2462 (2)0.70375 (17)0.0270 (10)
H10C0.9005−0.21950.71780.032*
H10D0.8347−0.26830.66510.032*
C1010.8087 (2)−0.3097 (2)0.72959 (16)0.0241 (9)
C1020.8428 (3)−0.3643 (3)0.72254 (18)0.0343 (11)
H10E0.8850−0.36050.70220.041*
C1030.8159 (3)−0.4240 (3)0.7448 (2)0.0427 (13)
H10F0.8394−0.46130.73940.051*
C1040.7551 (3)−0.4303 (3)0.7751 (2)0.0428 (13)
H10G0.7368−0.47170.79030.051*
C1050.7217 (3)−0.3758 (3)0.7827 (2)0.0394 (12)
H10H0.6808−0.37890.80410.047*
C1060.7472 (3)−0.3171 (3)0.75957 (18)0.0330 (11)
H10I0.7223−0.28080.76420.040*
C1070.8446 (3)−0.1171 (3)0.75250 (18)0.0363 (12)
H10J0.8189−0.08140.74490.044*
C1080.8351 (4)−0.1237 (3)0.8068 (2)0.0658 (19)
H10K0.7770−0.14500.80850.099*
H10L0.8604−0.07350.83200.099*
H10M0.8616−0.15680.81610.099*
C1090.9354 (3)−0.0818 (3)0.7500 (2)0.0630 (18)
H10N0.9415−0.07740.71390.095*
H10O0.9632−0.11410.75940.095*
H10P0.9597−0.03150.77510.095*
C1100.4513 (3)−0.3632 (3)0.49128 (19)0.0301 (10)
C1110.4308 (3)−0.4810 (3)0.42554 (18)0.0356 (12)
H11A0.3814−0.52790.41320.043*
H11B0.4656−0.48740.45430.043*
C1120.4765 (3)−0.4715 (3)0.38000 (19)0.0398 (13)
C1130.4468 (4)−0.5250 (3)0.3314 (2)0.0530 (15)
H11C0.3965−0.56640.32650.064*
C1140.4893 (4)−0.5190 (4)0.2903 (2)0.0620 (18)
H11D0.4681−0.55630.25720.074*
C1150.5613 (4)−0.4603 (4)0.2964 (2)0.0570 (17)
H11E0.5907−0.45690.26790.068*
C1160.5917 (3)−0.4050 (3)0.3449 (2)0.0456 (14)
H11F0.6417−0.36350.34940.055*
C1170.5492 (3)−0.4109 (3)0.38595 (19)0.0393 (13)
H11G0.5698−0.37310.41880.047*
C1180.3315 (3)−0.4151 (3)0.41884 (19)0.0422 (13)
H11H0.3117−0.38210.44440.051*
C1190.3501 (3)−0.3803 (4)0.3728 (2)0.071 (2)
H11I0.3932−0.32980.38600.107*
H11J0.3009−0.37620.35600.107*
H11K0.3684−0.41230.34670.107*
C1200.2643 (3)−0.4936 (4)0.4004 (2)0.0635 (19)
H12B0.2536−0.51450.43100.095*
H12C0.2815−0.52670.37440.095*
H12D0.2145−0.49010.38390.095*
C1210.1329 (3)−0.3201 (3)0.57042 (15)0.0406 (13)
H12E0.1657−0.26710.59050.049*
H12V0.1666−0.35000.57560.049*
C1220.1232 (2)−0.3215 (3)0.51261 (15)0.0331 (11)
H12F0.0993−0.37470.49090.040*
H12G0.0848−0.29690.50510.040*
C1230.2025 (3)−0.2821 (3)0.49689 (16)0.0472 (14)
H12H0.2223−0.22770.51570.057*
H12I0.2427−0.30200.50960.057*
C1240.2013 (3)−0.2889 (4)0.43889 (17)0.0603 (18)
H12J0.2558−0.26010.43330.090*
H12K0.1623−0.26880.42560.090*
H12L0.1850−0.34220.41970.090*
C125−0.0164 (2)−0.4480 (2)0.64587 (16)0.0237 (9)
H12M−0.0062−0.42610.68480.028*
H12N−0.0762−0.47230.63370.028*
C1260.0198 (2)−0.5077 (2)0.63444 (15)0.0249 (9)
H12O0.0799−0.48310.64480.030*
H12P0.0069−0.53180.59570.030*
C127−0.0107 (3)−0.5682 (2)0.66324 (18)0.0343 (11)
H12Q0.0082−0.54510.70190.041*
H12R−0.0711−0.58840.65650.041*
C1280.0174 (3)−0.6329 (3)0.6468 (2)0.0457 (13)
H12S−0.0047−0.67030.66660.069*
H12T0.0771−0.61370.65440.069*
H12U−0.0018−0.65670.60860.069*
C129−0.1197 (2)−0.4052 (2)0.51823 (14)0.0144 (8)
C130−0.2356 (2)−0.3721 (2)0.49218 (17)0.0250 (10)
H13B−0.2333−0.35480.53090.030*
H13C−0.2930−0.40420.47590.030*
C131−0.2102 (2)−0.3034 (3)0.47021 (16)0.0248 (10)
C132−0.1437 (3)−0.2830 (3)0.44520 (18)0.0316 (11)
H13D−0.1103−0.31190.44230.038*
C133−0.1250 (3)−0.2211 (3)0.4244 (2)0.0413 (13)
H13E−0.0798−0.20820.40670.050*
C134−0.1730 (3)−0.1779 (3)0.42969 (19)0.0408 (13)
H13F−0.1609−0.13560.41520.049*
C135−0.2380 (3)−0.1962 (3)0.4558 (2)0.0417 (13)
H13G−0.2698−0.16570.46020.050*
C136−0.2570 (3)−0.2591 (3)0.47543 (17)0.0308 (11)
H13H−0.3027−0.27220.49280.037*
C137−0.2162 (3)−0.4868 (3)0.43653 (16)0.0285 (10)
H13I−0.1682−0.50010.42860.034*
C138−0.2512 (3)−0.4723 (3)0.38708 (18)0.0416 (13)
H13J−0.2106−0.42880.37930.062*
H13K−0.3002−0.46150.39280.062*
H13L−0.2655−0.51700.35710.062*
C139−0.2760 (3)−0.5534 (3)0.4505 (2)0.0453 (13)
H13M−0.2511−0.56110.48260.068*
H13N−0.2907−0.59880.42100.068*
H13O−0.3252−0.54330.45700.068*
C1400.1430 (2)−0.2407 (2)0.71770 (16)0.0204 (9)
C1410.1560 (3)−0.1208 (3)0.77940 (18)0.0332 (11)
H14B0.1195−0.11860.74950.040*
H14C0.2032−0.07190.79060.040*
C1420.1109 (3)−0.1293 (3)0.82486 (18)0.0354 (12)
C1430.0414 (3)−0.1924 (3)0.82053 (19)0.0369 (12)
H14D0.0236−0.23280.78900.044*
C144−0.0024 (4)−0.1973 (4)0.8615 (2)0.0524 (15)
H14E−0.0504−0.24050.85800.063*
C1450.0245 (5)−0.1387 (5)0.9076 (3)0.078 (2)
H14F−0.0055−0.14170.93590.094*
C1460.0942 (5)−0.0763 (5)0.9129 (3)0.080 (2)
H14G0.1129−0.03690.94490.096*
C1470.1369 (4)−0.0711 (4)0.8715 (2)0.0581 (17)
H14H0.1843−0.02740.87490.070*
C1480.2647 (2)−0.1753 (3)0.78910 (18)0.0339 (11)
H14I0.2850−0.20960.76510.041*
C1490.2533 (3)−0.2025 (3)0.8380 (2)0.0497 (15)
H14J0.2118−0.25390.82850.075*
H14K0.2356−0.16880.86320.075*
H14L0.3050−0.20260.85450.075*
C1500.3289 (3)−0.0959 (3)0.8017 (2)0.0529 (16)
H15B0.3347−0.07980.76890.079*
H15C0.3811−0.09550.81760.079*
H15D0.3122−0.06120.82670.079*

Atomic displacement parameters (Å2)

U11U22U33U12U13U23
Sn10.01788 (14)0.02831 (18)0.01970 (14)0.00772 (13)0.00069 (11)−0.00138 (12)
Sn20.01833 (15)0.02719 (19)0.02695 (16)0.00804 (14)−0.00101 (11)−0.00219 (13)
Sn30.01755 (14)0.02649 (18)0.02081 (15)0.00283 (13)0.00295 (11)0.00190 (12)
Sn40.01812 (15)0.02110 (18)0.03409 (18)0.00446 (13)0.00249 (12)0.00342 (13)
Sn50.01811 (14)0.02417 (18)0.02256 (15)0.00477 (13)0.00327 (11)0.00617 (12)
S10.0250 (5)0.0235 (6)0.0240 (5)0.0097 (5)−0.0020 (4)−0.0021 (4)
S20.0230 (5)0.0286 (7)0.0257 (6)0.0127 (5)−0.0062 (4)−0.0039 (5)
S30.0202 (5)0.0249 (6)0.0193 (5)0.0076 (5)−0.0023 (4)0.0002 (4)
S40.0212 (5)0.0254 (6)0.0275 (6)0.0095 (5)−0.0002 (4)0.0011 (5)
S50.0275 (6)0.0233 (6)0.0290 (6)0.0119 (5)−0.0027 (4)−0.0033 (5)
S60.0206 (5)0.0294 (7)0.0259 (6)0.0140 (5)−0.0043 (4)−0.0035 (5)
S70.0251 (5)0.0255 (6)0.0228 (5)0.0085 (5)−0.0039 (4)0.0005 (4)
S80.0233 (5)0.0273 (7)0.0356 (6)0.0097 (5)−0.0034 (5)−0.0008 (5)
S90.0309 (6)0.0245 (6)0.0254 (6)0.0086 (5)−0.0011 (4)0.0033 (5)
S100.0216 (5)0.0285 (7)0.0238 (6)0.0058 (5)−0.0030 (4)−0.0001 (5)
S110.0262 (6)0.0259 (7)0.0217 (5)0.0058 (5)−0.0041 (4)0.0007 (4)
S120.0230 (6)0.0327 (7)0.0352 (6)0.0102 (5)−0.0018 (5)−0.0030 (5)
S130.0259 (5)0.0195 (6)0.0229 (5)0.0082 (5)0.0000 (4)−0.0005 (4)
S140.0276 (6)0.0213 (6)0.0281 (6)0.0107 (5)−0.0004 (4)0.0021 (4)
S150.0311 (6)0.0259 (7)0.0291 (6)0.0119 (5)−0.0080 (5)−0.0020 (5)
S160.0197 (6)0.0284 (8)0.0865 (11)0.0064 (6)−0.0082 (6)0.0078 (7)
S170.0233 (5)0.0214 (6)0.0230 (5)0.0090 (5)−0.0005 (4)0.0022 (4)
S180.0221 (5)0.0235 (6)0.0226 (5)0.0091 (5)0.0015 (4)0.0036 (4)
S190.0322 (6)0.0286 (7)0.0225 (6)0.0122 (5)−0.0070 (4)0.0012 (5)
S200.0213 (5)0.0288 (7)0.0306 (6)0.0076 (5)0.0000 (4)0.0075 (5)
N10.0209 (18)0.022 (2)0.0219 (18)0.0077 (16)−0.0023 (14)0.0068 (15)
N20.0160 (16)0.025 (2)0.0199 (18)0.0057 (16)0.0024 (13)−0.0004 (14)
N30.0165 (16)0.020 (2)0.0255 (19)0.0074 (15)−0.0002 (14)0.0057 (15)
N40.0151 (16)0.022 (2)0.0222 (18)−0.0011 (15)0.0003 (13)−0.0033 (15)
N50.0228 (18)0.026 (2)0.029 (2)0.0025 (17)−0.0024 (15)0.0083 (16)
N60.0178 (17)0.029 (2)0.0208 (18)0.0013 (17)0.0014 (14)−0.0027 (15)
N70.0280 (19)0.015 (2)0.028 (2)0.0054 (16)−0.0032 (15)0.0057 (15)
N80.026 (2)0.028 (2)0.025 (2)−0.0029 (18)−0.0026 (15)0.0091 (16)
N90.0182 (17)0.024 (2)0.0233 (18)0.0060 (16)0.0009 (14)0.0099 (15)
N100.0223 (18)0.029 (2)0.0223 (19)0.0029 (17)−0.0008 (15)0.0051 (16)
C10.027 (2)0.024 (3)0.053 (3)0.000 (2)−0.010 (2)0.012 (2)
C20.026 (3)0.029 (3)0.020 (3)0.003 (2)0.002 (3)0.014 (3)
C30.037 (3)0.032 (3)0.034 (3)0.012 (3)0.009 (3)0.007 (3)
C40.038 (3)0.039 (3)0.038 (5)0.013 (3)0.004 (4)0.006 (3)
C2'0.026 (3)0.029 (3)0.020 (3)0.003 (2)0.002 (3)0.014 (3)
C3'0.037 (3)0.032 (3)0.034 (3)0.012 (3)0.009 (3)0.007 (3)
C4'0.038 (3)0.039 (3)0.038 (5)0.013 (3)0.004 (4)0.006 (3)
C50.022 (2)0.039 (3)0.025 (2)0.011 (2)0.0024 (18)−0.003 (2)
C60.034 (3)0.077 (4)0.039 (3)0.031 (3)0.010 (2)0.023 (3)
C70.033 (3)0.046 (3)0.042 (3)0.014 (3)0.014 (2)0.006 (2)
C80.064 (4)0.185 (9)0.067 (5)0.086 (5)0.040 (4)0.069 (5)
C90.022 (2)0.013 (2)0.0151 (19)0.0038 (17)0.0020 (15)0.0041 (15)
C100.022 (2)0.034 (3)0.033 (2)0.013 (2)0.0012 (18)0.012 (2)
C110.027 (2)0.021 (3)0.024 (2)0.004 (2)−0.0069 (18)−0.0006 (18)
C120.034 (3)0.026 (3)0.052 (3)0.010 (2)−0.014 (2)0.001 (2)
C130.050 (3)0.028 (3)0.064 (4)0.010 (3)−0.014 (3)0.014 (3)
C140.064 (4)0.028 (3)0.040 (3)0.001 (3)−0.017 (3)0.012 (2)
C150.052 (3)0.034 (3)0.031 (3)0.004 (3)0.008 (2)0.009 (2)
C160.033 (3)0.031 (3)0.032 (3)0.012 (2)0.004 (2)0.009 (2)
C170.024 (2)0.029 (3)0.026 (2)0.005 (2)−0.0072 (18)0.0019 (19)
C180.027 (2)0.043 (3)0.039 (3)0.005 (2)−0.006 (2)0.007 (2)
C190.040 (3)0.046 (3)0.027 (3)0.008 (3)0.007 (2)−0.003 (2)
C200.0115 (18)0.025 (2)0.019 (2)0.0062 (18)0.0069 (15)0.0081 (17)
C210.021 (2)0.019 (2)0.022 (2)0.0034 (19)0.0015 (16)0.0021 (17)
C220.023 (2)0.020 (2)0.021 (2)0.0091 (19)0.0050 (16)0.0077 (17)
C230.020 (2)0.024 (3)0.023 (2)0.0070 (19)0.0032 (16)0.0057 (17)
C240.030 (2)0.029 (3)0.033 (3)0.012 (2)0.0137 (19)0.016 (2)
C250.047 (3)0.038 (3)0.036 (3)0.023 (3)0.024 (2)0.016 (2)
C260.058 (3)0.027 (3)0.032 (3)0.018 (3)0.019 (2)0.003 (2)
C270.035 (3)0.019 (3)0.030 (2)0.009 (2)0.0084 (19)0.0035 (19)
C280.019 (2)0.035 (3)0.023 (2)0.010 (2)−0.0044 (17)0.0003 (19)
C290.059 (4)0.109 (6)0.025 (3)0.056 (4)0.000 (2)0.020 (3)
C300.021 (3)0.090 (5)0.063 (4)0.008 (3)0.002 (2)0.033 (4)
C310.024 (2)0.036 (3)0.033 (3)0.009 (2)0.0028 (19)−0.003 (2)
C320.026 (2)0.050 (3)0.029 (3)0.014 (2)0.0018 (19)−0.005 (2)
C330.041 (3)0.049 (4)0.048 (3)0.017 (3)0.019 (2)0.003 (3)
C340.039 (3)0.092 (5)0.043 (3)0.024 (3)0.014 (3)0.013 (3)
C350.026 (2)0.028 (3)0.047 (3)0.005 (2)−0.008 (2)0.004 (2)
C360.033 (3)0.051 (4)0.074 (4)0.014 (3)0.000 (3)0.022 (3)
C370.065 (4)0.084 (6)0.080 (5)0.024 (4)0.024 (4)0.033 (4)
C380.056 (4)0.035 (4)0.094 (5)0.022 (3)0.022 (3)0.014 (3)
C390.0139 (18)0.020 (2)0.019 (2)0.0056 (17)0.0037 (15)0.0093 (16)
C400.020 (2)0.032 (3)0.035 (3)0.015 (2)0.0032 (18)0.008 (2)
C410.023 (2)0.024 (3)0.023 (2)0.009 (2)−0.0032 (17)0.0023 (18)
C420.037 (3)0.038 (3)0.036 (3)0.020 (2)0.003 (2)0.009 (2)
C430.060 (4)0.045 (4)0.053 (4)0.032 (3)0.006 (3)0.018 (3)
C440.060 (4)0.038 (3)0.042 (3)0.017 (3)−0.002 (3)0.019 (2)
C450.042 (3)0.044 (4)0.042 (3)0.010 (3)0.009 (2)0.020 (3)
C460.033 (3)0.035 (3)0.039 (3)0.015 (2)0.008 (2)0.014 (2)
C470.024 (2)0.026 (3)0.022 (2)0.009 (2)−0.0016 (17)0.0012 (18)
C480.039 (3)0.044 (3)0.029 (3)0.010 (3)0.009 (2)0.004 (2)
C490.020 (2)0.036 (3)0.034 (3)0.000 (2)−0.0007 (18)0.012 (2)
C500.0155 (19)0.023 (2)0.024 (2)0.0050 (18)0.0071 (16)0.0115 (17)
C510.024 (2)0.020 (2)0.022 (2)0.0004 (19)0.0032 (17)0.0061 (17)
C520.027 (2)0.024 (3)0.021 (2)0.012 (2)0.0029 (17)0.0064 (17)
C530.027 (2)0.030 (3)0.028 (2)0.006 (2)0.0024 (18)0.005 (2)
C540.030 (2)0.038 (3)0.037 (3)0.009 (2)0.009 (2)0.018 (2)
C550.052 (3)0.051 (4)0.036 (3)0.027 (3)0.026 (2)0.020 (2)
C560.057 (3)0.036 (3)0.036 (3)0.011 (3)0.020 (3)0.000 (2)
C570.036 (3)0.031 (3)0.032 (3)0.003 (2)0.009 (2)0.003 (2)
C580.019 (2)0.048 (3)0.028 (2)0.009 (2)−0.0017 (18)0.001 (2)
C590.041 (3)0.057 (4)0.045 (3)0.016 (3)−0.004 (2)0.026 (3)
C600.023 (3)0.083 (5)0.038 (3)−0.009 (3)−0.004 (2)0.018 (3)
C610.020 (2)0.034 (3)0.026 (2)0.008 (2)0.0035 (17)0.0063 (19)
C620.024 (2)0.032 (3)0.029 (2)0.007 (2)0.0051 (18)0.003 (2)
C630.046 (3)0.047 (4)0.044 (3)0.017 (3)0.016 (2)0.017 (3)
C640.053 (3)0.034 (3)0.065 (4)0.018 (3)0.021 (3)0.017 (3)
C650.029 (2)0.041 (3)0.031 (3)0.004 (2)0.005 (2)0.002 (2)
C660.048 (3)0.058 (4)0.052 (3)0.030 (3)0.020 (3)0.025 (3)
C670.047 (3)0.056 (4)0.054 (4)0.014 (3)0.029 (3)0.013 (3)
C680.071 (4)0.154 (8)0.071 (5)0.076 (5)0.043 (4)0.054 (5)
C690.025 (2)0.021 (2)0.017 (2)0.0063 (19)0.0052 (16)0.0118 (17)
C700.027 (2)0.039 (3)0.038 (3)0.009 (2)0.001 (2)0.016 (2)
C710.027 (2)0.029 (3)0.028 (2)0.004 (2)−0.0077 (19)0.005 (2)
C720.033 (3)0.037 (3)0.046 (3)0.008 (2)−0.011 (2)0.006 (2)
C730.045 (3)0.038 (4)0.063 (4)0.007 (3)−0.021 (3)0.016 (3)
C740.064 (4)0.034 (4)0.053 (4)0.004 (3)−0.020 (3)0.018 (3)
C750.049 (3)0.040 (4)0.040 (3)0.001 (3)0.002 (2)0.013 (3)
C760.038 (3)0.032 (3)0.037 (3)0.009 (2)−0.002 (2)0.012 (2)
C770.026 (2)0.026 (3)0.032 (3)−0.001 (2)−0.0068 (19)0.005 (2)
C780.058 (3)0.042 (4)0.030 (3)0.006 (3)−0.003 (2)0.009 (2)
C790.046 (3)0.039 (3)0.038 (3)0.002 (3)0.002 (2)0.008 (2)
C800.0060 (17)0.027 (3)0.022 (2)−0.0017 (17)0.0023 (15)0.0072 (17)
C810.023 (2)0.023 (3)0.020 (2)−0.001 (2)0.0032 (17)0.0041 (18)
C820.021 (2)0.026 (3)0.024 (2)0.009 (2)0.0036 (17)0.0086 (18)
C830.034 (3)0.033 (3)0.041 (3)0.010 (2)0.014 (2)0.005 (2)
C840.052 (3)0.032 (3)0.047 (3)0.013 (3)0.023 (3)0.001 (2)
C850.050 (3)0.046 (4)0.053 (3)0.024 (3)0.032 (3)0.015 (3)
C860.027 (2)0.031 (3)0.049 (3)0.010 (2)0.013 (2)0.015 (2)
C870.023 (2)0.024 (3)0.033 (2)0.010 (2)0.0062 (18)0.0089 (19)
C880.023 (2)0.039 (3)0.029 (2)0.009 (2)−0.0047 (19)−0.004 (2)
C890.024 (3)0.106 (6)0.058 (4)0.010 (3)0.004 (3)0.035 (4)
C900.055 (4)0.139 (7)0.031 (3)0.059 (4)0.004 (3)0.030 (4)
C910.016 (2)0.033 (3)0.025 (2)0.004 (2)0.0045 (17)0.0041 (19)
C920.024 (2)0.024 (3)0.024 (2)0.001 (2)0.0027 (17)0.0066 (18)
C930.040 (3)0.031 (3)0.036 (3)0.005 (2)0.011 (2)0.016 (2)
C940.059 (4)0.040 (4)0.056 (4)0.014 (3)0.014 (3)0.025 (3)
C950.027 (3)0.055 (4)0.065 (4)−0.011 (3)0.019 (3)−0.026 (3)
C960.079 (5)0.051 (5)0.078 (4)0.003 (4)0.061 (4)0.022 (3)
C970.033 (3)0.055 (4)0.048 (4)0.018 (3)0.012 (3)0.010 (3)
C980.066 (4)0.074 (5)0.073 (4)0.032 (4)0.024 (3)0.021 (4)
C96'0.079 (5)0.051 (5)0.078 (4)0.003 (4)0.061 (4)0.022 (3)
C97'0.033 (3)0.055 (4)0.048 (4)0.018 (3)0.012 (3)0.010 (3)
C98'0.066 (4)0.074 (5)0.073 (4)0.032 (4)0.024 (3)0.021 (4)
C990.030 (2)0.009 (2)0.021 (2)0.0050 (18)−0.0039 (17)0.0041 (16)
C1000.023 (2)0.027 (3)0.032 (2)0.012 (2)0.0012 (18)0.0086 (19)
C1010.025 (2)0.023 (2)0.022 (2)0.010 (2)−0.0039 (17)0.0034 (17)
C1020.039 (3)0.037 (3)0.031 (3)0.022 (2)0.002 (2)0.006 (2)
C1030.061 (3)0.035 (3)0.041 (3)0.029 (3)0.002 (3)0.012 (2)
C1040.059 (3)0.032 (3)0.038 (3)0.017 (3)−0.001 (3)0.017 (2)
C1050.041 (3)0.042 (3)0.039 (3)0.015 (3)0.010 (2)0.020 (2)
C1060.037 (3)0.036 (3)0.034 (3)0.019 (2)0.011 (2)0.015 (2)
C1070.039 (3)0.029 (3)0.032 (3)0.015 (2)−0.014 (2)−0.004 (2)
C1080.067 (4)0.056 (4)0.039 (3)−0.006 (3)0.021 (3)−0.014 (3)
C1090.061 (4)0.054 (4)0.041 (3)−0.014 (3)0.012 (3)0.005 (3)
C1100.025 (2)0.019 (3)0.043 (3)0.001 (2)0.011 (2)0.012 (2)
C1110.043 (3)0.025 (3)0.025 (2)0.002 (2)−0.007 (2)0.004 (2)
C1120.046 (3)0.036 (3)0.030 (3)0.014 (3)−0.007 (2)0.003 (2)
C1130.067 (4)0.044 (4)0.034 (3)0.013 (3)−0.002 (3)0.000 (3)
C1140.081 (5)0.058 (4)0.036 (3)0.023 (4)0.004 (3)−0.003 (3)
C1150.069 (4)0.076 (5)0.043 (3)0.045 (4)0.017 (3)0.017 (3)
C1160.039 (3)0.060 (4)0.048 (3)0.029 (3)0.004 (2)0.019 (3)
C1170.038 (3)0.045 (3)0.034 (3)0.020 (3)−0.005 (2)0.006 (2)
C1180.022 (2)0.064 (4)0.034 (3)0.004 (3)0.000 (2)0.023 (3)
C1190.049 (3)0.133 (7)0.070 (4)0.048 (4)0.025 (3)0.075 (5)
C1200.029 (3)0.082 (5)0.046 (3)−0.004 (3)−0.005 (2)−0.004 (3)
C1210.024 (2)0.056 (4)0.027 (3)0.000 (2)0.0026 (19)0.008 (2)
C1220.029 (2)0.038 (3)0.034 (3)0.012 (2)0.012 (2)0.011 (2)
C1230.034 (3)0.067 (4)0.032 (3)0.007 (3)0.009 (2)0.014 (3)
C1240.042 (3)0.099 (6)0.038 (3)0.023 (4)0.017 (3)0.018 (3)
C1250.019 (2)0.028 (3)0.020 (2)0.0017 (19)0.0040 (16)0.0096 (18)
C1260.025 (2)0.023 (3)0.021 (2)0.003 (2)0.0063 (17)0.0042 (17)
C1270.038 (3)0.034 (3)0.032 (3)0.012 (2)0.010 (2)0.013 (2)
C1280.047 (3)0.037 (3)0.057 (4)0.016 (3)0.014 (3)0.019 (3)
C1290.0139 (18)0.010 (2)0.0171 (19)0.0000 (16)−0.0020 (14)0.0095 (15)
C1300.016 (2)0.029 (3)0.030 (2)0.0083 (19)−0.0004 (17)0.0105 (19)
C1310.021 (2)0.026 (3)0.022 (2)0.006 (2)−0.0021 (17)0.0052 (18)
C1320.027 (2)0.033 (3)0.034 (3)0.010 (2)0.0062 (19)0.012 (2)
C1330.037 (3)0.043 (3)0.042 (3)0.008 (3)0.004 (2)0.018 (2)
C1340.045 (3)0.033 (3)0.038 (3)0.009 (3)−0.006 (2)0.013 (2)
C1350.044 (3)0.039 (3)0.040 (3)0.020 (3)−0.006 (2)0.004 (2)
C1360.026 (2)0.039 (3)0.026 (2)0.014 (2)−0.0011 (18)0.005 (2)
C1370.028 (2)0.027 (3)0.022 (2)0.002 (2)−0.0033 (18)0.0062 (19)
C1380.044 (3)0.044 (3)0.027 (3)0.007 (3)−0.006 (2)0.011 (2)
C1390.044 (3)0.035 (3)0.036 (3)−0.008 (3)0.001 (2)0.006 (2)
C1400.020 (2)0.023 (2)0.023 (2)0.0077 (19)0.0065 (16)0.0151 (17)
C1410.038 (3)0.021 (3)0.030 (3)0.003 (2)−0.010 (2)0.0036 (19)
C1420.044 (3)0.036 (3)0.029 (3)0.024 (3)−0.003 (2)0.004 (2)
C1430.042 (3)0.042 (3)0.032 (3)0.024 (3)0.002 (2)0.007 (2)
C1440.056 (3)0.074 (5)0.046 (3)0.042 (3)0.019 (3)0.021 (3)
C1450.104 (6)0.121 (7)0.047 (4)0.085 (6)0.033 (4)0.018 (4)
C1460.099 (6)0.089 (6)0.047 (4)0.050 (5)0.010 (4)−0.015 (4)
C1470.066 (4)0.058 (4)0.039 (3)0.030 (3)−0.008 (3)−0.014 (3)
C1480.017 (2)0.044 (3)0.030 (3)0.004 (2)−0.0036 (18)0.005 (2)
C1490.040 (3)0.073 (4)0.042 (3)0.024 (3)−0.001 (2)0.025 (3)
C1500.031 (3)0.057 (4)0.044 (3)−0.006 (3)−0.004 (2)0.000 (3)

Geometric parameters (Å, °)

Sn1—C12.141 (5)C59—H59B0.9800
Sn1—C52.146 (4)C59—H59C0.9800
Sn1—S12.529 (1)C60—H60A0.9800
Sn1—S22.887 (1)C60—H60B0.9800
Sn1—S32.536 (1)C60—H60C0.9800
Sn1—S43.031 (1)C61—C621.512 (4)
Sn2—C352.126 (5)C61—H61A0.9900
Sn2—C312.141 (4)C61—H61B0.9900
Sn2—S52.531 (1)C62—C631.501 (4)
Sn2—S62.877 (1)C62—H62A0.9900
Sn2—S72.530 (1)C62—H62B0.9900
Sn2—S83.042 (1)C63—C641.507 (4)
Sn3—C612.141 (4)C63—H63A0.9900
Sn3—C652.156 (4)C63—H63B0.9900
Sn3—S92.535 (1)C64—H64A0.9800
Sn3—S102.869 (1)C64—H64B0.9800
Sn3—S112.529 (1)C64—H64C0.9800
Sn3—S123.025 (1)C65—C661.497 (4)
Sn4—C952.134 (4)C65—H65A0.9900
Sn4—C912.140 (4)C65—H65B0.9900
Sn4—S132.544 (1)C66—C671.507 (4)
Sn4—S142.831 (1)C66—H66A0.9900
Sn4—S152.538 (1)C66—H66B0.9900
Sn4—S163.009 (1)C67—C681.496 (4)
Sn5—C1212.136 (4)C67—H67A0.9900
Sn5—C1252.141 (4)C67—H67B0.9900
Sn5—S172.546 (1)C68—H68A0.9800
Sn5—S182.837 (1)C68—H68B0.9800
Sn5—S192.549 (1)C68—H68C0.9800
Sn5—S203.036 (1)C70—C711.507 (7)
S1—C91.757 (4)C70—H70A0.9900
S2—C91.686 (4)C70—H70B0.9900
S3—C201.738 (4)C71—C761.381 (7)
S4—C201.695 (4)C71—C721.385 (6)
S5—C391.745 (4)C72—C731.374 (7)
S6—C391.701 (4)C72—H720.9500
S7—C501.736 (4)C73—C741.370 (8)
S8—C501.688 (4)C73—H730.9500
S9—C691.742 (4)C74—C751.392 (8)
S10—C691.683 (4)C74—H740.9500
S11—C801.760 (4)C75—C761.388 (7)
S12—C801.682 (4)C75—H750.9500
S13—C991.744 (4)C76—H760.9500
S14—C991.699 (4)C77—C781.506 (6)
S15—C1101.731 (5)C77—C791.528 (7)
S16—C1101.706 (5)C77—H771.0000
S17—C1291.750 (4)C78—H78A0.9800
S18—C1291.693 (4)C78—H78B0.9800
S19—C1401.730 (4)C78—H78C0.9800
S20—C1401.692 (4)C79—H79A0.9800
N1—C91.342 (5)C79—H79B0.9800
N1—C101.469 (5)C79—H79C0.9800
N1—C171.491 (5)C81—C821.513 (6)
N2—C201.351 (5)C81—H81A0.9900
N2—C211.469 (5)C81—H81B0.9900
N2—C281.488 (5)C82—C871.384 (6)
N3—C391.339 (4)C82—C831.386 (6)
N3—C401.475 (5)C83—C841.378 (6)
N3—C471.489 (5)C83—H830.9500
N4—C501.356 (5)C84—C851.381 (7)
N4—C511.469 (5)C84—H840.9500
N4—C581.488 (5)C85—C861.391 (7)
N5—C691.353 (5)C85—H850.9500
N5—C701.474 (5)C86—C871.379 (6)
N5—C771.493 (5)C86—H860.9500
N6—C801.343 (5)C87—H870.9500
N6—C811.459 (5)C88—C891.488 (7)
N6—C881.496 (5)C88—C901.490 (6)
N7—C991.345 (5)C88—H881.0000
N7—C1001.474 (5)C89—H89A0.9800
N7—C1071.483 (5)C89—H89B0.9800
N8—C1101.347 (5)C89—H89C0.9800
N8—C1111.465 (6)C90—H90A0.9800
N8—C1181.492 (5)C90—H90B0.9800
N9—C1291.337 (4)C90—H90C0.9800
N9—C1301.471 (5)C91—C921.502 (4)
N9—C1371.496 (5)C91—H91A0.9900
N10—C1401.360 (5)C91—H91B0.9900
N10—C1411.466 (5)C92—C931.509 (4)
N10—C1481.487 (5)C92—H92A0.9900
C1—C2'1.495 (4)C92—H92B0.9900
C1—C21.539 (4)C93—C941.510 (4)
C1—H1A0.9900C93—H93A0.9900
C1—H1B0.9900C93—H93B0.9900
C1—H1C0.9900C94—H94A0.9800
C1—H1D0.9900C94—H94B0.9800
C2—C31.505 (5)C94—H94C0.9800
C2—H2A0.9900C95—C961.476 (5)
C2—H2B0.9900C95—C96'1.513 (5)
C3—C41.497 (5)C95—H95A0.9900
C3—H3A0.9900C95—H95B0.9900
C3—H3B0.9900C95—H95C0.9900
C4—H4A0.9800C95—H95D0.9900
C4—H4B0.9800C96—C971.527 (5)
C4—H4C0.9800C96—H96A0.9900
C2'—C3'1.505 (5)C96—H96B0.9900
C2'—H2C0.9900C97—C981.494 (5)
C2'—H2D0.9900C97—H97A0.9900
C3'—C4'1.499 (5)C97—H97B0.9900
C3'—H3C0.9900C98—H98A0.9800
C3'—H3D0.9900C98—H98B0.9800
C4'—H4D0.9800C98—H98C0.9800
C4'—H4E0.9800C96'—C97'1.504 (5)
C4'—H4F0.9800C96'—H96C0.9900
C5—C61.501 (4)C96'—H96D0.9900
C5—H5A0.9900C97'—C98'1.502 (5)
C5—H5B0.9900C97'—H97C0.9900
C6—C71.500 (4)C97'—H97D0.9900
C6—H6A0.9900C98'—H98D0.9800
C6—H6B0.9900C98'—H98E0.9800
C7—C81.494 (4)C98'—H98F0.9800
C7—H7A0.9900C100—C1011.507 (6)
C7—H7B0.9900C100—H10C0.9900
C8—H8A0.9800C100—H10D0.9900
C8—H8B0.9800C101—C1021.388 (6)
C8—H8C0.9800C101—C1061.388 (6)
C10—C111.516 (6)C102—C1031.374 (7)
C10—H10A0.9900C102—H10E0.9500
C10—H10B0.9900C103—C1041.384 (7)
C11—C161.385 (6)C103—H10F0.9500
C11—C121.399 (6)C104—C1051.377 (7)
C12—C131.379 (7)C104—H10G0.9500
C12—H120.9500C105—C1061.372 (7)
C13—C141.378 (8)C105—H10H0.9500
C13—H130.9500C106—H10I0.9500
C14—C151.374 (7)C107—C1081.475 (7)
C14—H140.9500C107—C1091.534 (7)
C15—C161.395 (7)C107—H10J1.0000
C15—H150.9500C108—H10K0.9800
C16—H160.9500C108—H10L0.9800
C17—C191.507 (6)C108—H10M0.9800
C17—C181.531 (6)C109—H10N0.9800
C17—H171.0000C109—H10O0.9800
C18—H18A0.9800C109—H10P0.9800
C18—H18B0.9800C111—C1121.511 (7)
C18—H18C0.9800C111—H11A0.9900
C19—H19A0.9800C111—H11B0.9900
C19—H19B0.9800C112—C1131.383 (6)
C19—H19C0.9800C112—C1171.385 (7)
C21—C221.522 (5)C113—C1141.373 (8)
C21—H21A0.9900C113—H11C0.9500
C21—H21B0.9900C114—C1151.359 (8)
C22—C271.387 (5)C114—H11D0.9500
C22—C231.387 (6)C115—C1161.396 (7)
C23—C241.386 (6)C115—H11E0.9500
C23—H230.9500C116—C1171.373 (7)
C24—C251.378 (6)C116—H11F0.9500
C24—H240.9500C117—H11G0.9500
C25—C261.381 (7)C118—C1191.517 (7)
C25—H250.9500C118—C1201.523 (7)
C26—C271.378 (6)C118—H11H1.0000
C26—H260.9500C119—H11I0.9800
C27—H270.9500C119—H11J0.9800
C28—C301.494 (7)C119—H11K0.9800
C28—C291.499 (6)C120—H12B0.9800
C28—H281.0000C120—H12C0.9800
C29—H29A0.9800C120—H12D0.9800
C29—H29B0.9800C121—C1221.503 (4)
C29—H29C0.9800C121—H12E0.9900
C30—H30A0.9800C121—H12V0.9900
C30—H30B0.9800C122—C1231.498 (4)
C30—H30C0.9800C122—H12F0.9900
C31—C321.514 (4)C122—H12G0.9900
C31—H31A0.9900C123—C1241.494 (4)
C31—H31B0.9900C123—H12H0.9900
C32—C331.515 (4)C123—H12I0.9900
C32—H32A0.9900C124—H12J0.9800
C32—H32B0.9900C124—H12K0.9800
C33—C341.503 (4)C124—H12L0.9800
C33—H33A0.9900C125—C1261.506 (4)
C33—H33B0.9900C125—H12M0.9900
C34—H34A0.9800C125—H12N0.9900
C34—H34B0.9800C126—C1271.511 (4)
C34—H34C0.9800C126—H12O0.9900
C35—C361.522 (4)C126—H12P0.9900
C35—H35A0.9900C127—C1281.508 (4)
C35—H35B0.9900C127—H12Q0.9900
C36—C371.481 (4)C127—H12R0.9900
C36—H36A0.9900C128—H12S0.9800
C36—H36B0.9900C128—H12T0.9800
C37—C381.510 (4)C128—H12U0.9800
C37—H37A0.9900C130—C1311.516 (6)
C37—H37B0.9900C130—H13B0.9900
C38—H38A0.9800C130—H13C0.9900
C38—H38B0.9800C131—C1321.383 (6)
C38—H38C0.9800C131—C1361.389 (6)
C40—C411.504 (6)C132—C1331.382 (7)
C40—H40A0.9900C132—H13D0.9500
C40—H40B0.9900C133—C1341.388 (7)
C41—C461.382 (6)C133—H13E0.9500
C41—C421.397 (6)C134—C1351.375 (7)
C42—C431.382 (7)C134—H13F0.9500
C42—H420.9500C135—C1361.382 (7)
C43—C441.368 (7)C135—H13G0.9500
C43—H430.9500C136—H13H0.9500
C44—C451.374 (7)C137—C1391.508 (6)
C44—H440.9500C137—C1381.512 (6)
C45—C461.398 (7)C137—H13I1.0000
C45—H450.9500C138—H13J0.9800
C46—H460.9500C138—H13K0.9800
C47—C481.516 (6)C138—H13L0.9800
C47—C491.532 (5)C139—H13M0.9800
C47—H471.0000C139—H13N0.9800
C48—H48A0.9800C139—H13O0.9800
C48—H48B0.9800C141—C1421.502 (7)
C48—H48C0.9800C141—H14B0.9900
C49—H49A0.9800C141—H14C0.9900
C49—H49B0.9800C142—C1431.386 (7)
C49—H49C0.9800C142—C1471.391 (6)
C51—C521.514 (6)C143—C1441.381 (7)
C51—H51A0.9900C143—H14D0.9500
C51—H51B0.9900C144—C1451.385 (8)
C52—C571.390 (6)C144—H14E0.9500
C52—C531.392 (6)C145—C1461.376 (10)
C53—C541.373 (6)C145—H14F0.9500
C53—H530.9500C146—C1471.379 (9)
C54—C551.389 (7)C146—H14G0.9500
C54—H540.9500C147—H14H0.9500
C55—C561.374 (7)C148—C1491.495 (7)
C55—H550.9500C148—C1501.517 (7)
C56—C571.388 (6)C148—H14I1.0000
C56—H560.9500C149—H14J0.9800
C57—H570.9500C149—H14K0.9800
C58—C591.485 (7)C149—H14L0.9800
C58—C601.509 (7)C150—H15B0.9800
C58—H581.0000C150—H15C0.9800
C59—H59A0.9800C150—H15D0.9800
C1—Sn1—C5129.0 (2)C63—C62—C61113.9 (3)
C1—Sn1—S1108.14 (11)C63—C62—H62A108.8
C5—Sn1—S1115.24 (11)C61—C62—H62A108.8
C1—Sn1—S3105.81 (13)C63—C62—H62B108.8
C5—Sn1—S3106.94 (13)C61—C62—H62B108.8
S1—Sn1—S379.95 (3)H62A—C62—H62B107.7
C1—Sn1—S286.46 (13)C62—C63—C64113.9 (4)
C5—Sn1—S287.93 (11)C62—C63—H63A108.8
S1—Sn1—S265.65 (3)C64—C63—H63A108.8
S3—Sn1—S2145.60 (3)C62—C63—H63B108.8
C1—Sn1—S480.36 (12)C64—C63—H63B108.8
C5—Sn1—S480.46 (11)H63A—C63—H63B107.7
S1—Sn1—S4143.47 (3)C63—C64—H64A109.5
S3—Sn1—S463.67 (3)C63—C64—H64B109.5
S2—Sn1—S4150.70 (3)H64A—C64—H64B109.5
C31—Sn2—C35128.4 (2)C63—C64—H64C109.5
C35—Sn2—S7106.00 (12)H64A—C64—H64C109.5
C31—Sn2—S7107.25 (13)H64B—C64—H64C109.5
C35—Sn2—S5108.31 (11)C66—C65—Sn3119.0 (3)
C31—Sn2—S5114.79 (12)C66—C65—H65A107.6
S7—Sn2—S581.23 (3)Sn3—C65—H65A107.6
C35—Sn2—S685.55 (13)C66—C65—H65B107.6
C31—Sn2—S687.23 (12)Sn3—C65—H65B107.6
S7—Sn2—S6147.15 (3)H65A—C65—H65B107.0
S5—Sn2—S665.92 (3)C65—C66—C67112.3 (4)
C35—Sn2—S879.77 (12)C65—C66—H66A109.1
C31—Sn2—S881.11 (11)C67—C66—H66A109.1
S7—Sn2—S863.56 (3)C65—C66—H66B109.1
S5—Sn2—S8144.60 (3)C67—C66—H66B109.1
S6—Sn2—S8149.20 (3)H66A—C66—H66B107.9
C61—Sn3—C65127.1 (2)C68—C67—C66114.6 (4)
C61—Sn3—S11107.63 (11)C68—C67—H67A108.6
C65—Sn3—S11106.19 (14)C66—C67—H67A108.6
C61—Sn3—S9108.84 (10)C68—C67—H67B108.6
C65—Sn3—S9115.46 (12)C66—C67—H67B108.6
S11—Sn3—S981.45 (3)H67A—C67—H67B107.6
C61—Sn3—S1084.20 (12)C67—C68—H68A109.5
C65—Sn3—S1088.60 (12)C67—C68—H68B109.5
S11—Sn3—S10147.29 (3)H68A—C68—H68B109.5
S9—Sn3—S1065.84 (3)C67—C68—H68C109.5
C61—Sn3—S1280.57 (11)H68A—C68—H68C109.5
C65—Sn3—S1279.22 (11)H68B—C68—H68C109.5
S11—Sn3—S1263.97 (3)N5—C69—S10122.2 (3)
S9—Sn3—S12145.29 (3)N5—C69—S9118.8 (3)
S10—Sn3—S12148.67 (3)S10—C69—S9119.0 (2)
C91—Sn4—C95136.9 (2)N5—C70—C71116.0 (4)
C95—Sn4—S15103.13 (15)N5—C70—H70A108.3
C91—Sn4—S15102.40 (11)C71—C70—H70A108.3
C95—Sn4—S13110.33 (16)N5—C70—H70B108.3
C91—Sn4—S13106.98 (10)C71—C70—H70B108.3
S15—Sn4—S1382.49 (3)H70A—C70—H70B107.4
C95—Sn4—S1490.28 (14)C76—C71—C72119.3 (5)
C91—Sn4—S1485.44 (11)C76—C71—C70122.9 (4)
S15—Sn4—S14148.73 (3)C72—C71—C70117.8 (4)
S13—Sn4—S1466.32 (3)C73—C72—C71119.9 (5)
C95—Sn4—S1681.52 (15)C73—C72—H72120.0
C91—Sn4—S1679.25 (11)C71—C72—H72120.0
S15—Sn4—S1664.01 (4)C74—C73—C72121.1 (5)
S13—Sn4—S16146.39 (4)C74—C73—H73119.5
S14—Sn4—S16146.91 (3)C72—C73—H73119.5
C121—Sn5—C125135.6 (2)C73—C74—C75119.7 (6)
C121—Sn5—S17110.68 (13)C73—C74—H74120.1
C125—Sn5—S17108.94 (10)C75—C74—H74120.1
C121—Sn5—S19101.62 (14)C76—C75—C74119.1 (5)
C125—Sn5—S19102.85 (11)C76—C75—H75120.4
S17—Sn5—S1982.03 (3)C74—C75—H75120.4
C121—Sn5—S1892.04 (12)C71—C76—C75120.8 (5)
C125—Sn5—S1886.15 (11)C71—C76—H76119.6
S17—Sn5—S1866.22 (3)C75—C76—H76119.6
S19—Sn5—S18148.17 (3)N5—C77—C78113.2 (4)
C121—Sn5—S2079.36 (11)N5—C77—C79109.9 (4)
C125—Sn5—S2079.39 (11)C78—C77—C79111.7 (4)
S17—Sn5—S20145.39 (3)N5—C77—H77107.2
S19—Sn5—S2063.38 (3)C78—C77—H77107.2
S18—Sn5—S20148.23 (3)C79—C77—H77107.2
C9—S1—Sn193.06 (13)C77—C78—H78A109.5
C9—S2—Sn182.79 (13)C77—C78—H78B109.5
C20—S3—Sn196.11 (14)H78A—C78—H78B109.5
C20—S4—Sn180.66 (13)C77—C78—H78C109.5
C39—S5—Sn292.80 (12)H78A—C78—H78C109.5
C39—S6—Sn282.45 (13)H78B—C78—H78C109.5
C50—S7—Sn295.88 (14)C77—C79—H79A109.5
C50—S8—Sn279.96 (14)C77—C79—H79B109.5
C69—S9—Sn392.46 (13)H79A—C79—H79B109.5
C69—S10—Sn382.71 (14)C77—C79—H79C109.5
C80—S11—Sn395.66 (14)H79A—C79—H79C109.5
C80—S12—Sn380.91 (13)H79B—C79—H79C109.5
C99—S13—Sn492.06 (13)N6—C80—S12123.5 (3)
C99—S14—Sn483.62 (13)N6—C80—S11117.1 (3)
C110—S15—Sn495.72 (16)S12—C80—S11119.4 (2)
C110—S16—Sn480.73 (16)N6—C81—C82114.1 (4)
C129—S17—Sn592.08 (12)N6—C81—H81A108.7
C129—S18—Sn583.75 (13)C82—C81—H81A108.7
C140—S19—Sn595.61 (14)N6—C81—H81B108.7
C140—S20—Sn580.31 (14)C82—C81—H81B108.7
C9—N1—C10120.9 (3)H81A—C81—H81B107.6
C9—N1—C17119.6 (3)C87—C82—C83119.0 (4)
C10—N1—C17119.5 (3)C87—C82—C81121.5 (4)
C20—N2—C21122.0 (3)C83—C82—C81119.6 (4)
C20—N2—C28121.3 (3)C84—C83—C82120.7 (5)
C21—N2—C28116.5 (3)C84—C83—H83119.7
C39—N3—C40120.7 (3)C82—C83—H83119.7
C39—N3—C47120.4 (3)C83—C84—C85120.0 (5)
C40—N3—C47118.9 (3)C83—C84—H84120.0
C50—N4—C51121.5 (3)C85—C84—H84120.0
C50—N4—C58120.4 (3)C84—C85—C86119.9 (5)
C51—N4—C58118.1 (3)C84—C85—H85120.1
C69—N5—C70121.2 (4)C86—C85—H85120.1
C69—N5—C77120.2 (4)C87—C86—C85119.5 (5)
C70—N5—C77118.4 (3)C87—C86—H86120.2
C80—N6—C81122.8 (3)C85—C86—H86120.2
C80—N6—C88120.0 (4)C86—C87—C82120.9 (4)
C81—N6—C88117.1 (3)C86—C87—H87119.5
C99—N7—C100120.3 (3)C82—C87—H87119.5
C99—N7—C107120.8 (3)C89—C88—C90112.4 (5)
C100—N7—C107118.9 (3)C89—C88—N6110.5 (4)
C110—N8—C111120.9 (4)C90—C88—N6112.8 (4)
C110—N8—C118121.0 (4)C89—C88—H88106.9
C111—N8—C118118.1 (4)C90—C88—H88106.9
C129—N9—C130121.3 (3)N6—C88—H88106.9
C129—N9—C137120.2 (3)C88—C89—H89A109.5
C130—N9—C137118.2 (3)C88—C89—H89B109.5
C140—N10—C141121.4 (3)H89A—C89—H89B109.5
C140—N10—C148120.9 (4)C88—C89—H89C109.5
C141—N10—C148117.7 (4)H89A—C89—H89C109.5
C2'—C1—Sn1128.1 (5)H89B—C89—H89C109.5
C2—C1—Sn1102.3 (3)C88—C90—H90A109.5
C2—C1—H1A111.3C88—C90—H90B109.5
Sn1—C1—H1A111.3H90A—C90—H90B109.5
C2'—C1—H1B108.4C88—C90—H90C109.5
C2—C1—H1B111.3H90A—C90—H90C109.5
Sn1—C1—H1B111.3H90B—C90—H90C109.5
H1A—C1—H1B109.2C92—C91—Sn4114.7 (3)
C2'—C1—H1C105.3C92—C91—H91A108.6
C2—C1—H1C133.9Sn4—C91—H91A108.6
Sn1—C1—H1C105.3C92—C91—H91B108.6
C2'—C1—H1D105.3Sn4—C91—H91B108.6
C2—C1—H1D101.5H91A—C91—H91B107.6
Sn1—C1—H1D105.3C91—C92—C93113.3 (3)
H1C—C1—H1D106.0C91—C92—H92A108.9
C3—C2—C1111.9 (5)C93—C92—H92A108.9
C3—C2—H2A109.2C91—C92—H92B108.9
C1—C2—H2A109.2C93—C92—H92B108.9
C3—C2—H2B109.2H92A—C92—H92B107.7
C1—C2—H2B109.2C94—C93—C92113.8 (4)
H2A—C2—H2B107.9C94—C93—H93A108.8
C4—C3—C2115.8 (6)C92—C93—H93A108.8
C4—C3—H3A108.3C94—C93—H93B108.8
C2—C3—H3A108.3C92—C93—H93B108.8
C4—C3—H3B108.3H93A—C93—H93B107.7
C2—C3—H3B108.3C93—C94—H94A109.5
H3A—C3—H3B107.4C93—C94—H94B109.5
C3—C4—H4A109.5H94A—C94—H94B109.5
C3—C4—H4B109.5C93—C94—H94C109.5
H4A—C4—H4B109.5H94A—C94—H94C109.5
C3—C4—H4C109.5H94B—C94—H94C109.5
H4A—C4—H4C109.5C96—C95—Sn4126.3 (4)
H4B—C4—H4C109.5C96'—C95—Sn4113.6 (4)
C1—C2'—C3'109.4 (5)C96—C95—H95A105.7
C1—C2'—H2C109.8C96'—C95—H95A95.5
C3'—C2'—H2C109.8Sn4—C95—H95A105.7
C1—C2'—H2D109.8C96—C95—H95B105.7
C3'—C2'—H2D109.8Sn4—C95—H95B105.7
H2C—C2'—H2D108.3H95A—C95—H95B106.2
C4'—C3'—C2'114.5 (6)C96—C95—H95C114.1
C4'—C3'—H3C108.6C96'—C95—H95C108.9
C2'—C3'—H3C108.6Sn4—C95—H95C108.9
C4'—C3'—H3D108.6C96'—C95—H95D108.9
C2'—C3'—H3D108.6Sn4—C95—H95D108.9
H3C—C3'—H3D107.6H95C—C95—H95D107.7
C3'—C4'—H4D109.5C95—C96—C97107.2 (5)
C3'—C4'—H4E109.5C95—C96—H96A110.3
H4D—C4'—H4E109.5C97—C96—H96A110.3
C3'—C4'—H4F109.5C95—C96—H96B110.3
H4D—C4'—H4F109.5C97—C96—H96B110.3
H4E—C4'—H4F109.5H96A—C96—H96B108.5
C6—C5—Sn1119.0 (3)C98—C97—C96110.9 (6)
C6—C5—H5A107.6C98—C97—H97A109.5
Sn1—C5—H5A107.6C96—C97—H97A109.5
C6—C5—H5B107.6C98—C97—H97B109.5
Sn1—C5—H5B107.6C96—C97—H97B109.5
H5A—C5—H5B107.0H97A—C97—H97B108.0
C7—C6—C5112.9 (3)C97—C98—H98A109.5
C7—C6—H6A109.0C97—C98—H98B109.5
C5—C6—H6A109.0H98A—C98—H98B109.5
C7—C6—H6B109.0C97—C98—H98C109.5
C5—C6—H6B109.0H98A—C98—H98C109.5
H6A—C6—H6B107.8H98B—C98—H98C109.5
C8—C7—C6117.4 (4)C97'—C96'—C95120.4 (7)
C8—C7—H7A108.0C97'—C96'—H96C107.2
C6—C7—H7A108.0C95—C96'—H96C107.2
C8—C7—H7B108.0C97'—C96'—H96D107.2
C6—C7—H7B108.0C95—C96'—H96D107.2
H7A—C7—H7B107.2H96C—C96'—H96D106.9
C7—C8—H8A109.5C98'—C97'—C96'118.2 (10)
C7—C8—H8B109.5C98'—C97'—H97C107.7
H8A—C8—H8B109.5C96'—C97'—H97C107.7
C7—C8—H8C109.5C98'—C97'—H97D107.7
H8A—C8—H8C109.5C96'—C97'—H97D107.7
H8B—C8—H8C109.5H97C—C97'—H97D107.1
N1—C9—S2123.9 (3)C97'—C98'—H98D109.5
N1—C9—S1118.0 (3)C97'—C98'—H98E109.5
S2—C9—S1118.0 (2)H98D—C98'—H98E109.5
N1—C10—C11115.2 (4)C97'—C98'—H98F109.5
N1—C10—H10A108.5H98D—C98'—H98F109.5
C11—C10—H10A108.5H98E—C98'—H98F109.5
N1—C10—H10B108.5N7—C99—S14122.8 (3)
C11—C10—H10B108.5N7—C99—S13119.1 (3)
H10A—C10—H10B107.5S14—C99—S13117.9 (2)
C16—C11—C12118.6 (5)N7—C100—C101115.1 (4)
C16—C11—C10124.1 (4)N7—C100—H10C108.5
C12—C11—C10117.3 (4)C101—C100—H10C108.5
C13—C12—C11120.3 (5)N7—C100—H10D108.5
C13—C12—H12119.9C101—C100—H10D108.5
C11—C12—H12119.9H10C—C100—H10D107.5
C14—C13—C12120.7 (5)C102—C101—C106118.2 (4)
C14—C13—H13119.7C102—C101—C100117.1 (4)
C12—C13—H13119.7C106—C101—C100124.6 (4)
C15—C14—C13119.9 (5)C103—C102—C101120.4 (5)
C15—C14—H14120.1C103—C102—H10E119.8
C13—C14—H14120.1C101—C102—H10E119.8
C14—C15—C16120.0 (5)C102—C103—C104120.8 (5)
C14—C15—H15120.0C102—C103—H10F119.6
C16—C15—H15120.0C104—C103—H10F119.6
C11—C16—C15120.6 (4)C105—C104—C103119.1 (5)
C11—C16—H16119.7C105—C104—H10G120.5
C15—C16—H16119.7C103—C104—H10G120.5
N1—C17—C19111.4 (4)C106—C105—C104120.2 (5)
N1—C17—C18112.5 (4)C106—C105—H10H119.9
C19—C17—C18110.7 (4)C104—C105—H10H119.9
N1—C17—H17107.3C105—C106—C101121.2 (4)
C19—C17—H17107.3C105—C106—H10I119.4
C18—C17—H17107.3C101—C106—H10I119.4
C17—C18—H18A109.5C108—C107—N7112.5 (4)
C17—C18—H18B109.5C108—C107—C109109.7 (4)
H18A—C18—H18B109.5N7—C107—C109112.2 (4)
C17—C18—H18C109.5C108—C107—H10J107.4
H18A—C18—H18C109.5N7—C107—H10J107.4
H18B—C18—H18C109.5C109—C107—H10J107.4
C17—C19—H19A109.5C107—C108—H10K109.5
C17—C19—H19B109.5C107—C108—H10L109.5
H19A—C19—H19B109.5H10K—C108—H10L109.5
C17—C19—H19C109.5C107—C108—H10M109.5
H19A—C19—H19C109.5H10K—C108—H10M109.5
H19B—C19—H19C109.5H10L—C108—H10M109.5
N2—C20—S4122.2 (3)C107—C109—H10N109.5
N2—C20—S3118.2 (3)C107—C109—H10O109.5
S4—C20—S3119.6 (2)H10N—C109—H10O109.5
N2—C21—C22113.8 (4)C107—C109—H10P109.5
N2—C21—H21A108.8H10N—C109—H10P109.5
C22—C21—H21A108.8H10O—C109—H10P109.5
N2—C21—H21B108.8N8—C110—S16120.9 (3)
C22—C21—H21B108.8N8—C110—S15119.6 (3)
H21A—C21—H21B107.7S16—C110—S15119.4 (3)
C27—C22—C23118.9 (4)N8—C111—C112114.5 (4)
C27—C22—C21119.6 (4)N8—C111—H11A108.6
C23—C22—C21121.5 (4)C112—C111—H11A108.6
C24—C23—C22120.6 (4)N8—C111—H11B108.6
C24—C23—H23119.7C112—C111—H11B108.6
C22—C23—H23119.7H11A—C111—H11B107.6
C25—C24—C23119.8 (4)C113—C112—C117118.6 (5)
C25—C24—H24120.1C113—C112—C111119.9 (5)
C23—C24—H24120.1C117—C112—C111121.5 (4)
C24—C25—C26119.9 (4)C114—C113—C112120.7 (6)
C24—C25—H25120.1C114—C113—H11C119.7
C26—C25—H25120.1C112—C113—H11C119.7
C27—C26—C25120.3 (4)C115—C114—C113120.7 (5)
C27—C26—H26119.8C115—C114—H11D119.6
C25—C26—H26119.8C113—C114—H11D119.6
C26—C27—C22120.4 (4)C114—C115—C116119.5 (6)
C26—C27—H27119.8C114—C115—H11E120.3
C22—C27—H27119.8C116—C115—H11E120.3
N2—C28—C30110.5 (4)C117—C116—C115119.8 (6)
N2—C28—C29112.2 (3)C117—C116—H11F120.1
C30—C28—C29112.9 (4)C115—C116—H11F120.1
N2—C28—H28107.0C116—C117—C112120.7 (5)
C30—C28—H28107.0C116—C117—H11G119.7
C29—C28—H28107.0C112—C117—H11G119.7
C28—C29—H29A109.5N8—C118—C119110.9 (4)
C28—C29—H29B109.5N8—C118—C120110.6 (4)
H29A—C29—H29B109.5C119—C118—C120111.5 (5)
C28—C29—H29C109.5N8—C118—H11H107.9
H29A—C29—H29C109.5C119—C118—H11H107.9
H29B—C29—H29C109.5C120—C118—H11H107.9
C28—C30—H30A109.5C118—C119—H11I109.5
C28—C30—H30B109.5C118—C119—H11J109.5
H30A—C30—H30B109.5H11I—C119—H11J109.5
C28—C30—H30C109.5C118—C119—H11K109.5
H30A—C30—H30C109.5H11I—C119—H11K109.5
H30B—C30—H30C109.5H11J—C119—H11K109.5
C32—C31—Sn2118.2 (3)C118—C120—H12B109.5
C32—C31—H31A107.8C118—C120—H12C109.5
Sn2—C31—H31A107.8H12B—C120—H12C109.5
C32—C31—H31B107.8C118—C120—H12D109.5
Sn2—C31—H31B107.8H12B—C120—H12D109.5
H31A—C31—H31B107.1H12C—C120—H12D109.5
C31—C32—C33110.7 (3)C122—C121—Sn5122.5 (3)
C31—C32—H32A109.5C122—C121—H12E106.7
C33—C32—H32A109.5Sn5—C121—H12E106.7
C31—C32—H32B109.5C122—C121—H12V106.7
C33—C32—H32B109.5Sn5—C121—H12V106.7
H32A—C32—H32B108.1H12E—C121—H12V106.6
C34—C33—C32114.7 (4)C123—C122—C121112.3 (3)
C34—C33—H33A108.6C123—C122—H12F109.1
C32—C33—H33A108.6C121—C122—H12F109.1
C34—C33—H33B108.6C123—C122—H12G109.1
C32—C33—H33B108.6C121—C122—H12G109.1
H33A—C33—H33B107.6H12F—C122—H12G107.9
C33—C34—H34A109.5C124—C123—C122116.5 (4)
C33—C34—H34B109.5C124—C123—H12H108.2
H34A—C34—H34B109.5C122—C123—H12H108.2
C33—C34—H34C109.5C124—C123—H12I108.2
H34A—C34—H34C109.5C122—C123—H12I108.2
H34B—C34—H34C109.5H12H—C123—H12I107.3
C36—C35—Sn2108.8 (3)C123—C124—H12J109.5
C36—C35—H35A109.9C123—C124—H12K109.5
Sn2—C35—H35A109.9H12J—C124—H12K109.5
C36—C35—H35B109.9C123—C124—H12L109.5
Sn2—C35—H35B109.9H12J—C124—H12L109.5
H35A—C35—H35B108.3H12K—C124—H12L109.5
C37—C36—C35114.7 (4)C126—C125—Sn5114.0 (3)
C37—C36—H36A108.6C126—C125—H12M108.7
C35—C36—H36A108.6Sn5—C125—H12M108.7
C37—C36—H36B108.6C126—C125—H12N108.7
C35—C36—H36B108.6Sn5—C125—H12N108.7
H36A—C36—H36B107.6H12M—C125—H12N107.6
C36—C37—C38113.2 (4)C125—C126—C127113.4 (3)
C36—C37—H37A108.9C125—C126—H12O108.9
C38—C37—H37A108.9C127—C126—H12O108.9
C36—C37—H37B108.9C125—C126—H12P108.9
C38—C37—H37B108.9C127—C126—H12P108.9
H37A—C37—H37B107.7H12O—C126—H12P107.7
C37—C38—H38A109.5C128—C127—C126113.5 (3)
C37—C38—H38B109.5C128—C127—H12Q108.9
H38A—C38—H38B109.5C126—C127—H12Q108.9
C37—C38—H38C109.5C128—C127—H12R108.9
H38A—C38—H38C109.5C126—C127—H12R108.9
H38B—C38—H38C109.5H12Q—C127—H12R107.7
N3—C39—S6122.7 (3)C127—C128—H12S109.5
N3—C39—S5119.1 (3)C127—C128—H12T109.5
S6—C39—S5118.2 (2)H12S—C128—H12T109.5
N3—C40—C41115.5 (3)C127—C128—H12U109.5
N3—C40—H40A108.4H12S—C128—H12U109.5
C41—C40—H40A108.4H12T—C128—H12U109.5
N3—C40—H40B108.4N9—C129—S18122.8 (3)
C41—C40—H40B108.4N9—C129—S17119.2 (3)
H40A—C40—H40B107.5S18—C129—S17117.95 (19)
C46—C41—C42118.5 (5)N9—C130—C131115.2 (3)
C46—C41—C40124.3 (4)N9—C130—H13B108.5
C42—C41—C40117.3 (4)C131—C130—H13B108.5
C43—C42—C41120.2 (5)N9—C130—H13C108.5
C43—C42—H42119.9C131—C130—H13C108.5
C41—C42—H42119.9H13B—C130—H13C107.5
C44—C43—C42120.9 (5)C132—C131—C136118.5 (4)
C44—C43—H43119.5C132—C131—C130123.8 (4)
C42—C43—H43119.5C136—C131—C130117.7 (4)
C43—C44—C45119.9 (5)C133—C132—C131121.2 (4)
C43—C44—H44120.1C133—C132—H13D119.4
C45—C44—H44120.1C131—C132—H13D119.4
C44—C45—C46119.8 (5)C132—C133—C134119.3 (5)
C44—C45—H45120.1C132—C133—H13E120.3
C46—C45—H45120.1C134—C133—H13E120.3
C41—C46—C45120.7 (4)C135—C134—C133120.3 (5)
C41—C46—H46119.7C135—C134—H13F119.9
C45—C46—H46119.7C133—C134—H13F119.9
N3—C47—C48111.6 (4)C134—C135—C136119.8 (5)
N3—C47—C49112.5 (3)C134—C135—H13G120.1
C48—C47—C49111.5 (3)C136—C135—H13G120.1
N3—C47—H47107.0C135—C136—C131120.8 (4)
C48—C47—H47107.0C135—C136—H13H119.6
C49—C47—H47107.0C131—C136—H13H119.6
C47—C48—H48A109.5N9—C137—C139110.3 (4)
C47—C48—H48B109.5N9—C137—C138112.8 (4)
H48A—C48—H48B109.5C139—C137—C138111.9 (4)
C47—C48—H48C109.5N9—C137—H13I107.2
H48A—C48—H48C109.5C139—C137—H13I107.2
H48B—C48—H48C109.5C138—C137—H13I107.2
C47—C49—H49A109.5C137—C138—H13J109.5
C47—C49—H49B109.5C137—C138—H13K109.5
H49A—C49—H49B109.5H13J—C138—H13K109.5
C47—C49—H49C109.5C137—C138—H13L109.5
H49A—C49—H49C109.5H13J—C138—H13L109.5
H49B—C49—H49C109.5H13K—C138—H13L109.5
N4—C50—S8122.0 (3)C137—C139—H13M109.5
N4—C50—S7118.0 (3)C137—C139—H13N109.5
S8—C50—S7120.0 (2)H13M—C139—H13N109.5
N4—C51—C52113.4 (4)C137—C139—H13O109.5
N4—C51—H51A108.9H13M—C139—H13O109.5
C52—C51—H51A108.9H13N—C139—H13O109.5
N4—C51—H51B108.9N10—C140—S20121.6 (3)
C52—C51—H51B108.9N10—C140—S19118.4 (3)
H51A—C51—H51B107.7S20—C140—S19120.0 (2)
C57—C52—C53119.2 (4)N10—C141—C142115.0 (4)
C57—C52—C51119.7 (4)N10—C141—H14B108.5
C53—C52—C51121.1 (4)C142—C141—H14B108.5
C54—C53—C52120.9 (4)N10—C141—H14C108.5
C54—C53—H53119.6C142—C141—H14C108.5
C52—C53—H53119.6H14B—C141—H14C107.5
C53—C54—C55119.8 (5)C143—C142—C147119.0 (5)
C53—C54—H54120.1C143—C142—C141121.5 (4)
C55—C54—H54120.1C147—C142—C141119.5 (5)
C56—C55—C54119.8 (4)C144—C143—C142120.8 (5)
C56—C55—H55120.1C144—C143—H14D119.6
C54—C55—H55120.1C142—C143—H14D119.6
C55—C56—C57120.8 (5)C143—C144—C145119.4 (6)
C55—C56—H56119.6C143—C144—H14E120.3
C57—C56—H56119.6C145—C144—H14E120.3
C56—C57—C52119.6 (5)C146—C145—C144120.5 (6)
C56—C57—H57120.2C146—C145—H14F119.7
C52—C57—H57120.2C144—C145—H14F119.7
C59—C58—N4111.4 (4)C145—C146—C147119.9 (6)
C59—C58—C60111.5 (4)C145—C146—H14G120.0
N4—C58—C60112.6 (4)C147—C146—H14G120.0
C59—C58—H58107.0C146—C147—C142120.4 (6)
N4—C58—H58107.0C146—C147—H14H119.8
C60—C58—H58107.0C142—C147—H14H119.8
C58—C59—H59A109.5N10—C148—C149111.1 (4)
C58—C59—H59B109.5N10—C148—C150112.0 (4)
H59A—C59—H59B109.5C149—C148—C150111.5 (4)
C58—C59—H59C109.5N10—C148—H14I107.3
H59A—C59—H59C109.5C149—C148—H14I107.3
H59B—C59—H59C109.5C150—C148—H14I107.3
C58—C60—H60A109.5C148—C149—H14J109.5
C58—C60—H60B109.5C148—C149—H14K109.5
H60A—C60—H60B109.5H14J—C149—H14K109.5
C58—C60—H60C109.5C148—C149—H14L109.5
H60A—C60—H60C109.5H14J—C149—H14L109.5
H60B—C60—H60C109.5H14K—C149—H14L109.5
C62—C61—Sn3110.6 (3)C148—C150—H15B109.5
C62—C61—H61A109.5C148—C150—H15C109.5
Sn3—C61—H61A109.5H15B—C150—H15C109.5
C62—C61—H61B109.5C148—C150—H15D109.5
Sn3—C61—H61B109.5H15B—C150—H15D109.5
H61A—C61—H61B108.1H15C—C150—H15D109.5
C1—Sn1—S1—C9−73.37 (19)Sn2—S8—C50—S7−6.8 (2)
C5—Sn1—S1—C979.05 (19)Sn2—S7—C50—N4−173.3 (3)
S3—Sn1—S1—C9−176.85 (14)Sn2—S7—C50—S88.1 (3)
S2—Sn1—S1—C93.95 (14)C50—N4—C51—C52−95.9 (5)
S4—Sn1—S1—C9−171.78 (14)C58—N4—C51—C5281.6 (5)
C1—Sn1—S2—C9107.59 (18)N4—C51—C52—C57−121.3 (4)
C5—Sn1—S2—C9−123.13 (19)N4—C51—C52—C5358.8 (5)
S1—Sn1—S2—C9−4.14 (14)C57—C52—C53—C54−0.8 (7)
S3—Sn1—S2—C9−5.53 (17)C51—C52—C53—C54179.1 (4)
S4—Sn1—S2—C9170.66 (15)C52—C53—C54—C550.3 (7)
C1—Sn1—S3—C2071.11 (18)C53—C54—C55—C560.7 (7)
C5—Sn1—S3—C20−69.23 (17)C54—C55—C56—C57−1.3 (8)
S1—Sn1—S3—C20177.28 (14)C55—C56—C57—C520.9 (8)
S2—Sn1—S3—C20178.57 (14)C53—C52—C57—C560.1 (7)
S4—Sn1—S3—C200.64 (13)C51—C52—C57—C56−179.7 (4)
C1—Sn1—S4—C20−113.77 (18)C50—N4—C58—C5995.1 (5)
C5—Sn1—S4—C20113.72 (19)C51—N4—C58—C59−82.4 (5)
S1—Sn1—S4—C20−6.23 (16)C50—N4—C58—C60−138.8 (4)
S3—Sn1—S4—C20−0.66 (14)C51—N4—C58—C6043.7 (5)
S2—Sn1—S4—C20−178.27 (14)C65—Sn3—C61—C62−8.5 (4)
C35—Sn2—S5—C3971.52 (19)S11—Sn3—C61—C62−135.9 (3)
C31—Sn2—S5—C39−79.40 (19)S9—Sn3—C61—C62137.4 (3)
S7—Sn2—S5—C39175.57 (14)S10—Sn3—C61—C6275.3 (3)
S6—Sn2—S5—C39−4.75 (13)S12—Sn3—C61—C62−77.2 (3)
S8—Sn2—S5—C39169.74 (14)Sn3—C61—C62—C63−177.2 (3)
C35—Sn2—S6—C39−107.42 (18)C61—C62—C63—C64173.4 (4)
C31—Sn2—S6—C39123.70 (18)C61—Sn3—C65—C66135.0 (4)
S7—Sn2—S6—C395.50 (16)S11—Sn3—C65—C66−97.1 (4)
S5—Sn2—S6—C394.91 (14)S9—Sn3—C65—C66−9.0 (4)
S8—Sn2—S6—C39−168.85 (14)S10—Sn3—C65—C6653.3 (4)
C35—Sn2—S7—C50−73.90 (18)S12—Sn3—C65—C66−155.7 (4)
C31—Sn2—S7—C5066.10 (18)Sn3—C65—C66—C67178.5 (4)
S5—Sn2—S7—C50179.45 (14)C65—C66—C67—C68175.6 (5)
S6—Sn2—S7—C50178.91 (14)C70—N5—C69—S10172.8 (3)
S8—Sn2—S7—C50−4.32 (14)C77—N5—C69—S10−1.8 (6)
C35—Sn2—S8—C50118.22 (18)C70—N5—C69—S9−6.3 (5)
C31—Sn2—S8—C50−109.91 (19)C77—N5—C69—S9179.1 (3)
S7—Sn2—S8—C504.49 (14)Sn3—S10—C69—N5−177.8 (4)
S5—Sn2—S8—C5010.93 (17)Sn3—S10—C69—S91.3 (2)
S6—Sn2—S8—C50−178.94 (15)Sn3—S9—C69—N5177.7 (3)
C61—Sn3—S9—C69−73.52 (18)Sn3—S9—C69—S10−1.5 (2)
C65—Sn3—S9—C6976.8 (2)C69—N5—C70—C7191.3 (5)
S11—Sn3—S9—C69−179.32 (14)C77—N5—C70—C71−94.0 (5)
S10—Sn3—S9—C690.82 (14)N5—C70—C71—C76−6.5 (6)
S12—Sn3—S9—C69−174.39 (14)N5—C70—C71—C72172.7 (4)
C61—Sn3—S10—C69112.81 (17)C76—C71—C72—C731.4 (7)
C65—Sn3—S10—C69−119.68 (19)C70—C71—C72—C73−177.8 (4)
S11—Sn3—S10—C69−1.11 (17)C71—C72—C73—C741.0 (8)
S9—Sn3—S10—C69−0.85 (14)C72—C73—C74—C75−2.1 (8)
S12—Sn3—S10—C69173.90 (15)C73—C74—C75—C760.9 (8)
C61—Sn3—S11—C8071.68 (17)C72—C71—C76—C75−2.5 (7)
C65—Sn3—S11—C80−67.03 (18)C70—C71—C76—C75176.6 (4)
S9—Sn3—S11—C80178.83 (14)C74—C75—C76—C711.4 (7)
S10—Sn3—S11—C80179.07 (14)C69—N5—C77—C78−141.1 (4)
S12—Sn3—S11—C801.95 (14)C70—N5—C77—C7844.1 (6)
C61—Sn3—S12—C80−117.07 (17)C69—N5—C77—C7993.2 (5)
C65—Sn3—S12—C80112.1 (2)C70—N5—C77—C79−81.6 (5)
S11—Sn3—S12—C80−2.06 (14)C81—N6—C80—S12−179.7 (3)
S9—Sn3—S12—C80−7.49 (17)C88—N6—C80—S123.4 (6)
S10—Sn3—S12—C80−179.06 (14)C81—N6—C80—S11−1.0 (5)
C95—Sn4—S13—C99−82.6 (2)C88—N6—C80—S11−177.9 (3)
C91—Sn4—S13—C9975.43 (18)Sn3—S12—C80—N6−178.3 (4)
S15—Sn4—S13—C99176.16 (15)Sn3—S12—C80—S113.1 (2)
S14—Sn4—S13—C99−1.58 (15)Sn3—S11—C80—N6177.7 (3)
S16—Sn4—S13—C99171.58 (15)Sn3—S11—C80—S12−3.6 (3)
C95—Sn4—S14—C99113.8 (2)C80—N6—C81—C8298.3 (5)
C91—Sn4—S14—C99−109.15 (18)C88—N6—C81—C82−84.7 (5)
S15—Sn4—S14—C99−2.68 (18)N6—C81—C82—C87−47.6 (5)
S13—Sn4—S14—C991.63 (15)N6—C81—C82—C83131.7 (4)
S16—Sn4—S14—C99−171.43 (16)C87—C82—C83—C84−0.5 (7)
C95—Sn4—S15—C11071.6 (2)C81—C82—C83—C84−179.9 (5)
C91—Sn4—S15—C110−73.36 (19)C82—C83—C84—C85−1.3 (8)
S13—Sn4—S15—C110−179.18 (16)C83—C84—C85—C862.2 (8)
S14—Sn4—S15—C110−175.20 (16)C84—C85—C86—C87−1.1 (8)
S16—Sn4—S15—C110−2.00 (16)C85—C86—C87—C82−0.8 (7)
C95—Sn4—S16—C110−107.1 (2)C83—C82—C87—C861.6 (6)
C91—Sn4—S16—C110111.66 (19)C81—C82—C87—C86−179.1 (4)
S15—Sn4—S16—C1102.04 (16)C80—N6—C88—C8990.4 (5)
S13—Sn4—S16—C1107.10 (19)C81—N6—C88—C89−86.7 (5)
S14—Sn4—S16—C110175.58 (16)C80—N6—C88—C90−142.9 (5)
C121—Sn5—S17—C12983.08 (19)C81—N6—C88—C9040.0 (6)
C125—Sn5—S17—C129−76.53 (17)C95—Sn4—C91—C9210.2 (4)
S19—Sn5—S17—C129−177.44 (13)S15—Sn4—C91—C92135.4 (3)
S18—Sn5—S17—C1290.25 (13)S13—Sn4—C91—C92−138.8 (3)
S20—Sn5—S17—C129−175.41 (13)S14—Sn4—C91—C92−75.3 (3)
C121—Sn5—S18—C129−112.0 (2)S16—Sn4—C91—C9275.3 (3)
C125—Sn5—S18—C129112.39 (16)Sn4—C91—C92—C93−177.8 (3)
S17—Sn5—S18—C129−0.26 (13)C91—C92—C93—C94−175.2 (4)
S19—Sn5—S18—C1294.07 (16)C91—Sn4—C95—C96−148.1 (8)
S20—Sn5—S18—C129175.06 (14)S15—Sn4—C95—C9687.0 (8)
C121—Sn5—S19—C140−66.83 (19)S13—Sn4—C95—C960.2 (9)
C125—Sn5—S19—C14075.87 (17)S14—Sn4—C95—C96−64.5 (8)
S17—Sn5—S19—C140−176.42 (14)S16—Sn4—C95—C96147.7 (8)
S18—Sn5—S19—C140179.58 (14)C91—Sn4—C95—C96'−127.6 (7)
S20—Sn5—S19—C1404.87 (14)S15—Sn4—C95—C96'107.5 (7)
C121—Sn5—S20—C140103.8 (2)S13—Sn4—C95—C96'20.7 (7)
C125—Sn5—S20—C140−115.32 (17)S14—Sn4—C95—C96'−44.0 (7)
S17—Sn5—S20—C140−7.27 (16)S16—Sn4—C95—C96'168.2 (7)
S19—Sn5—S20—C140−5.02 (14)C96'—C95—C96—C97113 (2)
S18—Sn5—S20—C140−179.72 (15)Sn4—C95—C96—C97173.1 (6)
C5—Sn1—C1—C2'4.1 (5)C95—C96—C97—C98175.7 (10)
S1—Sn1—C1—C2'151.4 (4)C96—C95—C96'—C97'−30.9 (12)
S3—Sn1—C1—C2'−124.2 (4)Sn4—C95—C96'—C97'−161.4 (9)
S2—Sn1—C1—C2'88.5 (4)C95—C96'—C97'—C98'−67.2 (15)
S4—Sn1—C1—C2'−65.2 (4)C100—N7—C99—S14178.6 (3)
C5—Sn1—C1—C2−14.4 (5)C107—N7—C99—S14−1.9 (6)
S1—Sn1—C1—C2133.0 (4)C100—N7—C99—S13−5.5 (6)
S3—Sn1—C1—C2−142.6 (4)C107—N7—C99—S13174.0 (3)
S2—Sn1—C1—C270.0 (4)Sn4—S14—C99—N7173.5 (4)
S4—Sn1—C1—C2−83.7 (4)Sn4—S14—C99—S13−2.5 (2)
C2'—C1—C2—C334.8 (8)Sn4—S13—C99—N7−173.4 (3)
Sn1—C1—C2—C3−174.5 (6)Sn4—S13—C99—S142.7 (3)
C1—C2—C3—C4177.9 (9)C99—N7—C100—C101−79.8 (5)
C2—C1—C2'—C3'−36.6 (8)C107—N7—C100—C101100.7 (5)
Sn1—C1—C2'—C3'−74.0 (8)N7—C100—C101—C102179.1 (4)
C1—C2'—C3'—C4'−176.0 (9)N7—C100—C101—C106−0.8 (6)
C1—Sn1—C5—C6144.7 (4)C106—C101—C102—C1030.0 (7)
S1—Sn1—C5—C6−0.8 (4)C100—C101—C102—C103−179.8 (4)
S3—Sn1—C5—C6−87.5 (4)C101—C102—C103—C104−0.7 (7)
S2—Sn1—C5—C661.0 (4)C102—C103—C104—C105−0.1 (8)
S4—Sn1—C5—C6−146.0 (4)C103—C104—C105—C1061.5 (8)
Sn1—C5—C6—C7179.6 (3)C104—C105—C106—C101−2.1 (7)
C5—C6—C7—C8−178.3 (5)C102—C101—C106—C1051.4 (7)
C10—N1—C9—S2−177.6 (3)C100—C101—C106—C105−178.8 (4)
C17—N1—C9—S21.6 (6)C99—N7—C107—C108101.5 (5)
C10—N1—C9—S13.9 (5)C100—N7—C107—C108−79.0 (5)
C17—N1—C9—S1−177.0 (3)C99—N7—C107—C109−134.2 (5)
Sn1—S2—C9—N1−172.4 (4)C100—N7—C107—C10945.4 (6)
Sn1—S2—C9—S16.2 (2)C111—N8—C110—S16173.2 (3)
Sn1—S1—C9—N1171.6 (3)C118—N8—C110—S16−5.3 (6)
Sn1—S1—C9—S2−7.0 (2)C111—N8—C110—S15−4.7 (6)
C9—N1—C10—C1187.1 (5)C118—N8—C110—S15176.7 (3)
C17—N1—C10—C11−92.0 (5)Sn4—S16—C110—N8178.9 (4)
N1—C10—C11—C16−14.6 (6)Sn4—S16—C110—S15−3.1 (2)
N1—C10—C11—C12166.8 (4)Sn4—S15—C110—N8−178.3 (3)
C16—C11—C12—C131.5 (7)Sn4—S15—C110—S163.6 (3)
C10—C11—C12—C13−179.9 (4)C110—N8—C111—C112−97.7 (5)
C11—C12—C13—C14−0.5 (8)C118—N8—C111—C11280.9 (5)
C12—C13—C14—C15−0.1 (8)N8—C111—C112—C113−122.4 (5)
C13—C14—C15—C16−0.2 (8)N8—C111—C112—C11759.3 (6)
C12—C11—C16—C15−1.8 (7)C117—C112—C113—C1141.2 (8)
C10—C11—C16—C15179.6 (4)C111—C112—C113—C114−177.2 (5)
C14—C15—C16—C111.2 (7)C112—C113—C114—C115−0.1 (10)
C9—N1—C17—C19−93.1 (5)C113—C114—C115—C116−0.8 (9)
C10—N1—C17—C1986.0 (5)C114—C115—C116—C1170.6 (8)
C9—N1—C17—C18141.9 (4)C115—C116—C117—C1120.5 (7)
C10—N1—C17—C18−38.9 (5)C113—C112—C117—C116−1.4 (7)
C21—N2—C20—S4179.3 (3)C111—C112—C117—C116177.0 (4)
C28—N2—C20—S43.6 (5)C110—N8—C118—C11995.9 (6)
C21—N2—C20—S3−1.1 (5)C111—N8—C118—C119−82.7 (6)
C28—N2—C20—S3−176.9 (3)C110—N8—C118—C120−139.8 (5)
Sn1—S4—C20—N2−179.5 (3)C111—N8—C118—C12041.6 (6)
Sn1—S4—C20—S31.0 (2)C125—Sn5—C121—C122115.7 (4)
Sn1—S3—C20—N2179.3 (3)S17—Sn5—C121—C122−36.2 (5)
Sn1—S3—C20—S4−1.2 (2)S19—Sn5—C121—C122−121.9 (4)
C20—N2—C21—C2298.0 (4)S18—Sn5—C121—C12229.1 (4)
C28—N2—C21—C22−86.1 (4)S20—Sn5—C121—C122178.3 (4)
N2—C21—C22—C27133.3 (4)Sn5—C121—C122—C123172.0 (4)
N2—C21—C22—C23−46.4 (5)C121—C122—C123—C124172.3 (5)
C27—C22—C23—C240.8 (6)C121—Sn5—C125—C126−13.6 (4)
C21—C22—C23—C24−179.5 (4)S17—Sn5—C125—C126138.6 (3)
C22—C23—C24—C25−0.3 (6)S19—Sn5—C125—C126−135.6 (3)
C23—C24—C25—C26−1.2 (7)S18—Sn5—C125—C12675.3 (3)
C24—C25—C26—C272.2 (7)S20—Sn5—C125—C126−76.2 (3)
C25—C26—C27—C22−1.7 (7)Sn5—C125—C126—C127176.8 (3)
C23—C22—C27—C260.2 (6)C125—C126—C127—C128173.0 (4)
C21—C22—C27—C26−179.5 (4)C130—N9—C129—S18172.9 (3)
C20—N2—C28—C3094.9 (5)C137—N9—C129—S18−0.9 (5)
C21—N2—C28—C30−81.1 (5)C130—N9—C129—S17−6.2 (5)
C20—N2—C28—C29−138.1 (5)C137—N9—C129—S17−179.9 (3)
C21—N2—C28—C2945.9 (6)Sn5—S18—C129—N9−178.7 (3)
C35—Sn2—C31—C32−150.6 (3)Sn5—S18—C129—S170.4 (2)
S7—Sn2—C31—C3281.4 (3)Sn5—S17—C129—N9178.7 (3)
S5—Sn2—C31—C32−6.7 (4)Sn5—S17—C129—S18−0.4 (2)
S6—Sn2—C31—C32−68.5 (3)C129—N9—C130—C13189.8 (5)
S8—Sn2—C31—C32140.1 (4)C137—N9—C130—C131−96.3 (4)
Sn2—C31—C32—C33177.5 (3)N9—C130—C131—C132−2.4 (6)
C31—C32—C33—C34175.0 (5)N9—C130—C131—C136177.2 (3)
C31—Sn2—C35—C3610.0 (4)C136—C131—C132—C133−1.8 (7)
S7—Sn2—C35—C36138.4 (3)C130—C131—C132—C133177.9 (4)
S5—Sn2—C35—C36−135.8 (3)C131—C132—C133—C1341.3 (7)
S6—Sn2—C35—C36−72.9 (3)C132—C133—C134—C1350.6 (7)
S8—Sn2—C35—C3679.9 (3)C133—C134—C135—C136−1.8 (7)
Sn2—C35—C36—C37178.2 (4)C134—C135—C136—C1311.3 (7)
C35—C36—C37—C38−171.6 (5)C132—C131—C136—C1350.5 (6)
C40—N3—C39—S6176.9 (3)C130—C131—C136—C135−179.2 (4)
C47—N3—C39—S6−3.2 (5)C129—N9—C137—C13989.8 (5)
C40—N3—C39—S5−4.0 (5)C130—N9—C137—C139−84.2 (5)
C47—N3—C39—S5175.9 (3)C129—N9—C137—C138−144.2 (4)
Sn2—S6—C39—N3171.7 (4)C130—N9—C137—C13841.8 (5)
Sn2—S6—C39—S5−7.4 (2)C141—N10—C140—S20−172.6 (3)
Sn2—S5—C39—N3−170.8 (3)C148—N10—C140—S207.0 (6)
Sn2—S5—C39—S68.3 (2)C141—N10—C140—S194.9 (6)
C39—N3—C40—C41−81.4 (5)C148—N10—C140—S19−175.5 (3)
C47—N3—C40—C4198.8 (4)Sn5—S20—C140—N10−174.9 (4)
N3—C40—C41—C463.8 (6)Sn5—S20—C140—S197.7 (2)
N3—C40—C41—C42−175.9 (4)Sn5—S19—C140—N10173.4 (3)
C46—C41—C42—C430.8 (7)Sn5—S19—C140—S20−9.0 (3)
C40—C41—C42—C43−179.5 (4)C140—N10—C141—C14296.5 (5)
C41—C42—C43—C44−1.7 (8)C148—N10—C141—C142−83.2 (5)
C42—C43—C44—C451.5 (8)N10—C141—C142—C143−58.8 (6)
C43—C44—C45—C46−0.5 (8)N10—C141—C142—C147124.4 (5)
C42—C41—C46—C450.2 (7)C147—C142—C143—C1440.9 (7)
C40—C41—C46—C45−179.5 (4)C141—C142—C143—C144−175.9 (4)
C44—C45—C46—C41−0.4 (8)C142—C143—C144—C145−0.9 (8)
C39—N3—C47—C4894.4 (5)C143—C144—C145—C146−0.2 (9)
C40—N3—C47—C48−85.8 (4)C144—C145—C146—C1471.4 (11)
C39—N3—C47—C49−139.4 (4)C145—C146—C147—C142−1.4 (10)
C40—N3—C47—C4940.4 (5)C143—C142—C147—C1460.2 (8)
C51—N4—C50—S8170.1 (3)C141—C142—C147—C146177.1 (5)
C58—N4—C50—S8−7.3 (6)C140—N10—C148—C149−98.4 (5)
C51—N4—C50—S7−8.5 (5)C141—N10—C148—C14981.2 (5)
C58—N4—C50—S7174.1 (3)C140—N10—C148—C150136.1 (4)
Sn2—S8—C50—N4174.7 (4)C141—N10—C148—C150−44.2 (6)

Footnotes

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: TK2429).

References

  • Barbour, L. J. (2001). J. Supramol. Chem.1, 189–191.
  • Bruker (2008). APEX2 and SAINT Bruker AXS Inc., Madison, Wisconsin, USA.
  • Farina, Y., Baba, I., Othman, A. H. & Ng, S. W. (2000). Main Group Met. Chem.23, 795–796.
  • Lokaj, J., Kellö, E., Kettmann, V., Vrábel, V. & Rattay, V. (1986). Collect. Czech. Chem. Commun.51, 2521–2527.
  • Menezes, D. C., Vieira, F. T., de Lima, G. M., Porto, A. O., Cortes, M. E., Ardisson, J. D. & Albrecht-Schmitt, T. E. (2005). Eur. J. Med. Chem.40, 1277–1282. [PubMed]
  • Sheldrick, G. M. (1996). SADABS University of Göttingen, Germany.
  • Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. [PubMed]
  • Tiekink, E. R. T. (2008). Appl. Organomet. Chem.22, 533–550.
  • Vrábel, V., Lokaj, J., Kellö, E., Rattay, V., Batsanov, A. C. & Struchkov, Yu. T. (1992a). Acta Cryst. C48, 627–629.
  • Vrábel, V., Lokaj, J., Kellö, E., Garaj, J., Batsanov, A. C. & Struchkov, Yu. T. (1992b). Acta Cryst. C48, 633-635.
  • Vrábel, V. & Kellö, E. (1993). Acta Cryst. C49, 873–875.
  • Westrip, S. P. (2009). publCIF In preparation.
  • Zia-ur-Rehman, Shahzadi, S., Ali, S., Badshah, A. & Jin, G.-X. (2006). J. Iran. Chem. Soc.3, 157–160.

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