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Acta Crystallogr Sect E Struct Rep Online. 2010 April 1; 66(Pt 4): o833.
Published online 2010 March 13. doi:  10.1107/S1600536810008263
PMCID: PMC2983874

Tetra­phenyl­phospho­nium octa­hydro­triborate

Abstract

The structure of the title salt, C24H20P+·H8B3 , at 120 (2) K has triclinic (P1) symmetry with an unusual Z = 5, although there is pseudosymmetry observed with the tetraphenylphosphonium cations exhibiting I An external file that holds a picture, illustration, etc.
Object name is e-66-0o833-efi1.jpg symmetry. One of the anions is disordered over two sets of sites with refined occupancies of 0.478 (11) and 0.522 (11).

Related literature

For related structures, see: Peters & Nordman (1960 [triangle]); Mitchell & Welch (1987 [triangle]); Deiseroth et al. (1989 [triangle]). For synthetic studies of the title compound, see: Amberger & Gut (1968 [triangle]); Beckett et al. (2003 [triangle]).

An external file that holds a picture, illustration, etc.
Object name is e-66-0o833-scheme1.jpg

Experimental

Crystal data

  • C24H20P+·B3H8
  • M r = 379.86
  • Triclinic, An external file that holds a picture, illustration, etc.
Object name is e-66-0o833-efi2.jpg
  • a = 7.0314 (5) Å
  • b = 19.820 (2) Å
  • c = 19.832 (2) Å
  • α = 87.995 (4)°
  • β = 79.779 (6)°
  • γ = 79.780 (5)°
  • V = 2676.8 (4) Å3
  • Z = 5
  • Mo Kα radiation
  • μ = 0.14 mm−1
  • T = 120 K
  • 0.42 × 0.10 × 0.08 mm

Data collection

  • Bruker–Nonius 95mm CCD camera on κ-goniostat diffractometer
  • Absorption correction: multi-scan (SADABS; Bruker, 2003 [triangle]) T min = 0.945, T max = 0.989
  • 15011 measured reflections
  • 13369 independent reflections
  • 10251 reflections with I > 2σ(I)
  • R int = 0.032

Refinement

  • R[F 2 > 2σ(F 2)] = 0.070
  • wR(F 2) = 0.191
  • S = 1.02
  • 13369 reflections
  • 1296 parameters
  • 48 restraints
  • H atoms treated by a mixture of independent and constrained refinement
  • Δρmax = 0.36 e Å−3
  • Δρmin = −0.52 e Å−3
  • Absolute structure: Flack (1983 [triangle]), 3867 Friedel pairs
  • Flack parameter: 0.07 (9)

Data collection: COLLECT (Hooft, 1998 [triangle]); cell refinement: DENZO (Otwinowski & Minor, 1997 [triangle]) and COLLECT; data reduction: DENZO and COLLECT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 [triangle]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 [triangle]); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997 [triangle]); software used to prepare material for publication: WinGX (Farrugia, 1999 [triangle]).

Supplementary Material

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536810008263/lh2986sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810008263/lh2986Isup2.hkl

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

Acknowledgments

The authors would like to thank the EPSRC for funding the crystallographic facilities.

supplementary crystallographic information

Comment

Crystallographically determined structures for salts, [X][B3H8], which contain the octahydrotriborate(1-)anion, have been restricted to [X] = [(NH3)2BH2] (Peters & Nordman, 1960), [PhCH2NMe3], (Mitchell & Welch, 1987), and [Cs] (Deiseroth et al., 1989). Preliminary crystallographic data have also been reported for X = [(PPh3)2N],[NMe4], [NEt4], [NPr4] (Mitchell & Welch, 1987). During the course of our recent synthetic studies (Beckett et al., 2003) we obtained crystals of [Ph4P][B3H8] (1) and these results are reported here. This crystallographic study confirms the ionic nature of 1 with no significant interactions between the ion-pairs. The structure shows considerable pseudo-symmetry with the tetraphenylphosphonium cations exhibiting I4 symmetry. However the smaller octahydrotriborate anions do not, with just one showing two-fold disorder. Hence the requirement to solve in P1.

As has been noted previously in the structures of [(NH3)2BH2][B3H8] and [PhCH2NMe3][B3H8] the B atoms of the octahydrotriborate anions in 1 present themselves as distorted isosceles triangles of approximate C2v symmetry.All the B atoms in each [B3H8]- unit are linked to 2 H atoms in terminal B—H bonds. The other 2 H atoms of the [B3H8]- unit bridge the B atoms along the shorter sides of the B3 triangles.

Experimental

[Ph4P][B3H8] (1) was prepared from [(C4H9)4N][B3H8] and [(C6H5)4P]Br in ethanol solution as a colourless crystalline powder by adapting a reported procedure (Amberger & Gut, 1968). A sample suitable for X-ray diffraction was obtained by a slow diffusion of 313-333K pet. ether into a CHCl3 solution of 1 at room temperature, m.pt: 518-524K (dec) (lit: 498K, Amberger & Gut, 1968). Calc for C24H28B3P:C,77.9%; H, 7.4%. Found C,77.5; H,7.8% .IR/cm-1 (nujol mull): 2446; 2392; 2114, 1584; 1138; 1108; 996. NMR(DMSO): d(1H/ppm) (250 MHz) 7.87(m; 20H); 0.10 (sept; 8H; JH—B = 32.2 Hz); d(11B/ppm) (160 MHz): -29.31;d(13C/ppm)(125 MHz) 135.3; 134.5; 130.4; 117.7 (d; JC—P = 89 Hz); d(31P/ppm) (202 MHz): +22.

Refinement

The initial data collection strategy was for a body-centred tetragonal crystal system (a= 27.593 (2)Å, c= 7.031 (1)Å), with a calculated Z of 10. This data was solvable to a reasonable degree in I4, with an R1=0.124, Z'=1.25, but terrible disorder of the two symmetry inequivalent octahydrotriborate anions. This was not helped by the fact one lay right on the 4-fold rotoinversion axis, for which it is physically impossible to obtain a non-disordered triangle. To help prove likely composition of the compound, this was enough information at the time. To fully prove the structure, further investigations were finally carried out which included lowering the symmetry of the crystal system and space group. It was discovered that when the structure was solved in the reduced triclinic unit cell instead of the original body-centred cell, almost all the disorder disappeared and that without having to use any thermal restraints the displacement parameters were also reasonable. Although the raw data was reintegrated as triclinic to obtain the necessary weak reflections and differing intensities which broke the body-centred tetragonal reflection rules, there was still an overall lack of data since the strategy for the data collection had been based on the tetragonal unit cell (77.6% complete against 99.7% complete out to 0.77Å resolution). This does present a few problems with regard to the overall quality of the structure found. With many fewer equivalent reflections collected, there will be consequential drop-off in the accuracy of the scaling of the data and the absorption correction carried out. This is still enough information for the clear proof of structure, however there is a very slight (but still noticeable) increase in the e.s.d.s of all the bond lengths, angles and the displacement parameters. These still lie within acceptable limits but are all slightly larger than normal for a low temperature crystal structure.

The hydrogen atoms of the phenyl rings were placed at calculated positions using the standard riding model in SHELX for aromatic hydrogen atoms. The terminal (non-bridging) hydrogen atoms of the octahydrotriborate anion was also placed at calculated positions using the standard riding model, this time for methylene hydrogen atoms. The bridging hydrogen atoms were located whenever possible from the difference map. When this was not possible the three boron-boron distances of the triangle were checked and a hydrogen atom was initially placed at the mid-point of the two shorter B-B bonds. No matter how they were located, all the bridging hydrogen atoms were restrained by 3 distance restraints, which were based on average distances for these compounds already found in the Cambridge Structural Database. These distances were 1.16 (6)Å from the two boron atoms it was bridging across and 2.30 (6) Å from the opposite boron atom. These constitute most of the restraints used in the structure.

Figures

Fig. 1.
Labelled displacement ellipsoid plot (50% probability) showing one anion and cation (others are similarly labelled).
Fig. 2.
The asymmetric unit of the title compound. The disorder of one of of the anions has been shown.

Crystal data

C24H20P+·B3H8Z = 5
Mr = 379.86F(000) = 1010
Triclinic, P1Dx = 1.178 Mg m3
Hall symbol: P 1Mo Kα radiation, λ = 0.71073 Å
a = 7.0314 (5) ÅCell parameters from 3613 reflections
b = 19.820 (2) Åθ = 2.9–27.5°
c = 19.832 (2) ŵ = 0.14 mm1
α = 87.995 (4)°T = 120 K
β = 79.779 (6)°Rod, colourless
γ = 79.780 (5)°0.42 × 0.10 × 0.08 mm
V = 2676.8 (4) Å3

Data collection

Bruker–Nonius 95mm CCD camera on κ-goniostat diffractometer13369 independent reflections
Radiation source: Bruker–Nonius FR591 rotating anode10251 reflections with I > 2σ(I)
10cm confocal mirrorsRint = 0.032
Detector resolution: 9.091 pixels mm-1θmax = 27.5°, θmin = 3.0°
[var phi] and ω scansh = −8→9
Absorption correction: multi-scan (SADABS; Bruker, 2003)k = −25→19
Tmin = 0.945, Tmax = 0.989l = −25→25
15011 measured reflections

Refinement

Refinement on F2Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: fullH atoms treated by a mixture of independent and constrained refinement
R[F2 > 2σ(F2)] = 0.070w = 1/[σ2(Fo2) + (0.0656P)2 + 2.9193P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.191(Δ/σ)max < 0.001
S = 1.02Δρmax = 0.36 e Å3
13369 reflectionsΔρmin = −0.52 e Å3
1296 parametersExtinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
48 restraintsExtinction coefficient: 0.0055 (11)
Primary atom site location: structure-invariant direct methodsAbsolute structure: Flack (1983), 3867 Friedel pairs
Secondary atom site location: difference Fourier mapFlack parameter: 0.07 (9)

Special details

Experimental. The data was collected based on a strategy for a body-centred tetragonal crystal system. Only during much later analysis was it noticed that it should be integrated using the primitive crystal system as presented.SADABS was used to perform the Absorption correction,Estimated minimum and maximum transmission: 0.6028 0.7455The given Tmin and Tmax were generated using the SHELX SIZE command
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.One of the octahydrotriborate anions was disordered over two sites. Due to resulting low expected electron density for each boron atom in this anion, they were left isotropic.For each octahydrotriborate anion, the two bridging hydrogen atoms were located using a combination of either from the difference map and/or based on the boron-boron distances. They were then restrained to suitable distances from the boron atoms (1.16 (6)Å for the two adjacent and 2.30 (6)Å for the one opposite respectively).

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

xyzUiso*/UeqOcc. (<1)
C10.9032 (8)0.7239 (3)0.6798 (3)0.0226 (12)
C21.0419 (7)0.6877 (3)0.7169 (3)0.0244 (12)
H21.08080.63950.71180.029*
C31.1218 (8)0.7234 (3)0.7612 (3)0.0307 (14)
H31.21140.69940.78810.037*
C41.0694 (8)0.7942 (3)0.7657 (3)0.0302 (14)
H41.12940.81860.79400.036*
C50.9320 (8)0.8296 (3)0.7299 (3)0.0274 (13)
H50.89430.87790.73510.033*
C60.8481 (8)0.7950 (3)0.6861 (3)0.0265 (13)
H60.75480.81940.66080.032*
C70.6506 (8)0.7311 (3)0.5748 (3)0.0231 (12)
C80.4762 (8)0.7685 (3)0.6098 (3)0.0265 (13)
H80.44360.76370.65810.032*
C90.3498 (8)0.8123 (3)0.5751 (3)0.0312 (14)
H90.23250.83820.59950.037*
C100.3969 (8)0.8182 (3)0.5037 (3)0.0266 (13)
H100.30960.84710.47920.032*
C110.5702 (8)0.7819 (3)0.4692 (3)0.0248 (13)
H110.60190.78710.42090.030*
C120.7007 (8)0.7376 (3)0.5031 (2)0.0246 (12)
H120.81930.71260.47860.029*
C130.6567 (7)0.6190 (3)0.6728 (3)0.0214 (12)
C140.6399 (8)0.6115 (3)0.7440 (3)0.0247 (12)
H140.71010.63610.76840.030*
C150.5220 (8)0.5685 (3)0.7785 (3)0.0276 (13)
H150.50920.56400.82690.033*
C160.4210 (8)0.5316 (3)0.7426 (3)0.0294 (13)
H160.33960.50200.76650.035*
C170.4393 (8)0.5382 (3)0.6718 (3)0.0289 (14)
H170.37290.51210.64740.035*
C180.5529 (8)0.5822 (3)0.6371 (3)0.0251 (12)
H180.56140.58780.58900.030*
C191.0076 (7)0.6260 (3)0.5677 (3)0.0219 (12)
C201.1475 (8)0.6616 (3)0.5310 (3)0.0229 (12)
H201.13310.70980.53640.028*
C211.3069 (8)0.6271 (3)0.4868 (3)0.0306 (14)
H211.39970.65160.46080.037*
C221.3303 (8)0.5563 (3)0.4808 (3)0.0260 (13)
H221.44130.53220.45140.031*
C231.1925 (8)0.5205 (3)0.5175 (3)0.0267 (14)
H231.20960.47220.51280.032*
C241.0298 (8)0.5549 (3)0.5610 (3)0.0235 (13)
H240.93510.53050.58590.028*
P10.8045 (2)0.67515 (11)0.62393 (11)0.0222 (3)
C310.1067 (7)0.9208 (3)0.0743 (2)0.0223 (12)
C320.2452 (7)0.8814 (3)0.1087 (3)0.0250 (12)
H320.28380.83360.10000.030*
C330.3260 (8)0.9125 (3)0.1557 (3)0.0337 (14)
H330.41750.88540.17990.040*
C340.2758 (8)0.9826 (3)0.1680 (3)0.0309 (14)
H340.33441.00330.19960.037*
C350.1388 (8)1.0218 (3)0.1336 (3)0.0331 (14)
H350.10251.06960.14210.040*
C360.0537 (8)0.9911 (3)0.0865 (3)0.0289 (13)
H36−0.03971.01810.06290.035*
C37−0.1541 (8)0.9395 (3)−0.0282 (3)0.0250 (13)
C38−0.1168 (8)0.9525 (3)−0.0990 (2)0.0263 (13)
H38−0.00180.9294−0.12730.032*
C39−0.2519 (8)1.0000 (3)−0.1266 (3)0.0301 (14)
H39−0.22771.0091−0.17440.036*
C40−0.4181 (9)1.0340 (3)−0.0877 (3)0.0370 (16)
H40−0.50681.0663−0.10870.044*
C41−0.4590 (9)1.0218 (3)−0.0175 (3)0.0379 (16)
H41−0.57381.04570.01010.046*
C42−0.3245 (8)0.9728 (3)0.0113 (3)0.0350 (15)
H42−0.35190.96240.05880.042*
C430.2100 (8)0.8368 (3)−0.0478 (2)0.0241 (13)
C440.3387 (8)0.8768 (3)−0.0846 (2)0.0271 (13)
H440.31570.9250−0.07760.032*
C450.4987 (8)0.8466 (3)−0.1309 (3)0.0333 (15)
H450.58360.8741−0.15670.040*
C460.5364 (8)0.7755 (3)−0.1400 (3)0.0289 (14)
H460.64770.7547−0.17150.035*
C470.4122 (8)0.7354 (3)−0.1031 (3)0.0307 (14)
H470.43810.6871−0.10930.037*
C480.2506 (8)0.7654 (3)−0.0572 (3)0.0291 (14)
H480.16610.7376−0.03180.035*
C49−0.1296 (7)0.8175 (3)0.0560 (2)0.0248 (13)
C50−0.1527 (8)0.8078 (3)0.1273 (2)0.0243 (12)
H50−0.09250.83380.15410.029*
C51−0.2624 (8)0.7609 (3)0.1582 (3)0.0281 (13)
H51−0.27690.75410.20630.034*
C52−0.3525 (9)0.7233 (3)0.1194 (3)0.0361 (14)
H52−0.42990.69140.14130.043*
C53−0.3301 (9)0.7319 (3)0.0487 (3)0.0411 (16)
H53−0.38800.70500.02220.049*
C54−0.2239 (8)0.7795 (3)0.0177 (3)0.0334 (14)
H54−0.21390.7870−0.03020.040*
P20.0078 (2)0.87843 (9)0.01328 (8)0.0231 (4)
C610.4435 (8)0.5336 (3)0.1910 (3)0.0243 (13)
C620.4854 (8)0.5423 (3)0.1197 (3)0.0271 (13)
H620.59910.51660.09300.033*
C630.3558 (8)0.5897 (3)0.0893 (3)0.0281 (14)
H630.38180.59640.04110.034*
C640.1913 (9)0.6269 (3)0.1272 (3)0.0357 (15)
H640.10370.65830.10500.043*
C650.1512 (8)0.6190 (3)0.1985 (3)0.0318 (14)
H650.03960.64610.22490.038*
C660.2763 (8)0.5713 (3)0.2299 (3)0.0327 (15)
H660.24820.56430.27800.039*
C670.4585 (7)0.4106 (3)0.2743 (3)0.0251 (13)
C680.4403 (8)0.3965 (2)0.3450 (3)0.0261 (13)
H680.50710.41870.37290.031*
C690.3234 (8)0.3498 (3)0.3731 (3)0.0302 (14)
H690.30690.34110.42100.036*
C700.2301 (8)0.3156 (3)0.3326 (3)0.0328 (14)
H700.15280.28290.35250.039*
C710.2499 (9)0.3293 (3)0.2625 (3)0.0403 (17)
H710.18710.30570.23440.048*
C720.3599 (8)0.3767 (3)0.2342 (3)0.0335 (15)
H720.36990.38680.18670.040*
C730.7011 (7)0.5133 (3)0.2945 (2)0.0218 (12)
C740.8332 (8)0.4727 (3)0.3310 (3)0.0264 (13)
H740.86490.42460.32390.032*
C750.9168 (8)0.5029 (3)0.3772 (3)0.0253 (13)
H751.00270.47520.40310.030*
C760.8765 (8)0.5738 (3)0.3863 (2)0.0265 (13)
H760.93650.59430.41770.032*
C770.7476 (8)0.6146 (3)0.3492 (3)0.0253 (12)
H770.72120.66300.35460.030*
C780.6585 (8)0.5837 (3)0.3044 (3)0.0258 (13)
H780.56740.61110.28020.031*
C790.8046 (8)0.4296 (3)0.1723 (3)0.0259 (13)
C800.9372 (8)0.4694 (3)0.1379 (3)0.0307 (14)
H800.91940.51710.14700.037*
C811.0939 (9)0.4386 (3)0.0908 (3)0.0404 (17)
H811.18330.46560.06690.049*
C821.1235 (9)0.3686 (3)0.0778 (3)0.0375 (16)
H821.23250.34780.04530.045*
C830.9934 (9)0.3300 (3)0.1123 (3)0.0410 (17)
H831.01390.28210.10400.049*
C840.8332 (8)0.3595 (3)0.1589 (3)0.0311 (15)
H840.74280.33230.18180.037*
P30.6012 (2)0.47180 (8)0.23352 (8)0.0242 (5)
C910.5979 (8)0.2420 (3)0.7654 (3)0.0221 (12)
C920.6287 (8)0.1712 (3)0.7556 (3)0.0294 (14)
H920.54150.14440.78130.035*
C930.7856 (9)0.1403 (3)0.7087 (3)0.0312 (14)
H930.80650.09220.70170.037*
C940.9135 (9)0.1797 (3)0.6716 (3)0.0331 (14)
H941.02330.15800.64000.040*
C950.8829 (9)0.2505 (3)0.6800 (3)0.0387 (16)
H950.96780.27730.65320.046*
C960.7271 (8)0.2811 (3)0.7280 (3)0.0335 (15)
H960.70790.32910.73560.040*
C970.2552 (8)0.2231 (3)0.8694 (3)0.0278 (14)
C980.1591 (8)0.1887 (3)0.8289 (3)0.0300 (14)
H980.16990.19790.78110.036*
C990.0486 (8)0.1413 (3)0.8593 (3)0.0366 (15)
H99−0.01560.11740.83190.044*
C1000.0293 (8)0.1278 (3)0.9296 (3)0.0323 (14)
H100−0.04780.09530.95020.039*
C1010.1246 (9)0.1627 (3)0.9687 (3)0.0393 (16)
H1010.11140.15411.01660.047*
C1020.2391 (8)0.2098 (3)0.9394 (3)0.0350 (15)
H1020.30560.23280.96670.042*
C1030.4996 (8)0.3248 (3)0.8886 (3)0.0294 (14)
C1040.4487 (8)0.3954 (3)0.9022 (3)0.0325 (14)
H1040.35550.42340.87930.039*
C1050.5354 (8)0.4240 (3)0.9492 (3)0.0352 (15)
H1050.50220.47180.95820.042*
C1060.6703 (9)0.3831 (4)0.9830 (3)0.0433 (17)
H1060.72940.40311.01500.052*
C1070.7198 (9)0.3132 (4)0.9705 (3)0.0469 (19)
H1070.81040.28510.99440.056*
C1080.6352 (8)0.2847 (3)0.9226 (3)0.0393 (17)
H1080.67090.23700.91300.047*
C1090.2363 (8)0.3459 (3)0.7855 (3)0.0270 (14)
C1100.2705 (8)0.3554 (3)0.7142 (3)0.0281 (13)
H1100.38440.33080.68660.034*
C1110.1355 (8)0.4013 (3)0.6847 (3)0.0255 (13)
H1110.15600.40770.63640.031*
C112−0.0275 (8)0.4376 (3)0.7247 (3)0.0342 (15)
H112−0.11850.46900.70380.041*
C113−0.0615 (8)0.4291 (3)0.7957 (3)0.0322 (14)
H113−0.17320.45520.82310.039*
C1140.0704 (8)0.3820 (3)0.8259 (3)0.0299 (14)
H1140.04680.37470.87400.036*
P40.3986 (2)0.28435 (8)0.82730 (9)0.0274 (5)
C1210.4158 (8)0.0247 (3)0.3564 (2)0.0211 (12)
C1220.4478 (8)−0.0453 (3)0.3444 (2)0.0222 (12)
H1220.3602−0.07310.36820.027*
C1230.6113 (8)−0.0745 (3)0.2968 (2)0.0262 (13)
H1230.6350−0.12230.28800.031*
C1240.7387 (8)−0.0334 (3)0.2623 (3)0.0279 (13)
H1240.8487−0.05350.22990.034*
C1250.7070 (9)0.0361 (3)0.2748 (3)0.0339 (15)
H1250.79400.06390.25080.041*
C1260.5460 (8)0.0654 (3)0.3231 (3)0.0318 (14)
H1260.52560.11290.33310.038*
C1270.0506 (7)0.1278 (2)0.3767 (3)0.0206 (12)
C1280.0908 (8)0.1408 (3)0.3057 (2)0.0255 (13)
H1280.20730.11770.27820.031*
C129−0.0432 (9)0.1880 (3)0.2767 (3)0.0330 (15)
H129−0.01860.19710.22890.040*
C130−0.2115 (8)0.2217 (3)0.3169 (3)0.0329 (15)
H130−0.30150.25380.29630.040*
C131−0.2518 (8)0.2094 (3)0.3873 (3)0.0300 (13)
H131−0.36650.23360.41480.036*
C132−0.1211 (8)0.1611 (3)0.4165 (3)0.0261 (13)
H132−0.14940.15080.46390.031*
C1330.3060 (8)0.1085 (3)0.4802 (2)0.0216 (12)
C1340.2572 (8)0.1795 (3)0.4895 (3)0.0257 (12)
H1340.17070.20670.46350.031*
C1350.3369 (8)0.2094 (3)0.5372 (3)0.0285 (13)
H1350.30170.25740.54490.034*
C1360.4680 (9)0.1702 (3)0.5742 (3)0.0358 (14)
H1360.52530.19190.60560.043*
C1370.5153 (8)0.0999 (3)0.5655 (3)0.0330 (14)
H1370.59930.07310.59250.040*
C1380.4396 (8)0.0688 (3)0.5170 (3)0.0280 (13)
H1380.47770.02090.50880.034*
C1390.0715 (7)0.0052 (2)0.4604 (2)0.0192 (12)
C140−0.0207 (7)−0.0316 (2)0.4192 (2)0.0227 (12)
H140−0.0056−0.02410.37110.027*
C141−0.1323 (8)−0.0784 (3)0.4501 (2)0.0250 (13)
H141−0.1885−0.10490.42250.030*
C142−0.1645 (8)−0.0878 (3)0.5209 (3)0.0265 (13)
H142−0.2463−0.11890.54150.032*
C143−0.0747 (8)−0.0507 (3)0.5610 (3)0.0263 (13)
H143−0.0939−0.05740.60930.032*
C1440.0418 (7)−0.0045 (3)0.5313 (2)0.0233 (12)
H1440.10160.02050.55910.028*
P50.21242 (19)0.06636 (7)0.41815 (8)0.0201 (4)
B10.8389 (11)0.3423 (5)0.4962 (4)0.057 (2)
H1A0.92330.30210.51300.068*
H1B0.86930.35090.44630.068*
B20.5909 (11)0.3613 (4)0.5369 (4)0.048 (2)
H2A0.49170.37980.50820.058*
H2B0.54560.33110.57490.058*
B30.7572 (11)0.4137 (4)0.5505 (4)0.047 (2)
H3A0.79900.41110.59580.057*
H3B0.74510.45980.52910.057*
H5A0.686 (4)0.335 (3)0.485 (2)0.071*
H5B0.588 (4)0.413 (2)0.564 (3)0.071*
B110.1122 (12)0.7480 (5)0.3615 (4)0.053 (2)
H11A0.07570.76940.40740.063*
H11B0.07440.70250.35870.063*
B120.3317 (11)0.7625 (4)0.3101 (4)0.047 (2)
H12A0.40920.72470.28030.057*
H12B0.41050.79150.32900.057*
B130.1046 (11)0.8025 (5)0.2895 (4)0.056 (2)
H13A0.06310.78560.24900.067*
H13B0.06450.85240.29770.067*
H15A0.279 (4)0.730 (3)0.358 (2)0.084*
H15B0.269 (4)0.808 (3)0.276 (3)0.084*
B210.4241 (12)0.9362 (4)0.6960 (4)0.055 (2)
H21A0.43580.89020.71770.066*
H21B0.50970.93860.65100.066*
B220.1926 (11)0.9890 (4)0.7092 (4)0.048 (2)
H22A0.15631.01930.67110.058*
H22B0.08240.97090.73780.058*
B230.3777 (13)1.0073 (5)0.7495 (5)0.064 (3)
H23A0.36540.99890.79940.077*
H23B0.43921.04730.73270.077*
H25A0.276 (5)0.942 (3)0.675 (3)0.096*
H25B0.231 (6)1.0365 (18)0.736 (3)0.096*
B310.8983 (13)0.5483 (5)0.9568 (5)0.063 (3)
H31A0.79830.56540.99700.076*
H31B0.91650.49840.94880.076*
B321.1022 (12)0.5873 (5)0.9375 (4)0.051 (2)
H32A1.22930.55830.91910.061*
H32B1.11110.62530.96730.061*
B330.9234 (12)0.6017 (5)0.8855 (4)0.056 (2)
H33A0.83720.64710.88790.067*
H33B0.95560.58000.83970.067*
H35A1.069 (5)0.5322 (19)0.960 (3)0.084*
H35B1.073 (6)0.618 (3)0.886 (2)0.084*
B410.729 (3)1.1711 (16)0.1193 (16)0.096 (8)*0.478 (11)
H41A0.79111.19940.14630.116*0.478 (11)
H41B0.82241.13750.08830.116*0.478 (11)
B420.501 (3)1.1477 (13)0.1583 (12)0.093 (8)*0.478 (11)
H42A0.47601.10210.14750.111*0.478 (11)
H42B0.44471.16390.20550.111*0.478 (11)
B430.510 (3)1.2096 (11)0.0919 (11)0.079 (7)*0.478 (11)
H43A0.48911.19630.04650.094*0.478 (11)
H43B0.45791.25810.10450.094*0.478 (11)
B1410.565 (3)1.2027 (9)0.1591 (9)0.067 (5)*0.522 (11)
H14A0.56811.19030.20780.081*0.522 (11)
H14B0.60211.24760.14490.081*0.522 (11)
B1420.628 (2)1.1346 (9)0.0970 (9)0.065 (5)*0.522 (11)
H14C0.69861.14450.05100.078*0.522 (11)
H14D0.66461.08730.11370.078*0.522 (11)
B1430.386 (2)1.1751 (9)0.1202 (9)0.054 (4)*0.522 (11)
H14E0.29401.14890.14880.065*0.522 (11)
H14F0.32801.20600.08610.065*0.522 (11)
H45A0.670 (6)1.121 (3)0.145 (5)0.081*0.478 (11)
H45B0.402 (6)1.201 (3)0.145 (3)0.081*0.478 (11)
H15G0.706 (4)1.170 (7)0.128 (7)0.081*0.522 (11)
H15H0.491 (6)1.150 (4)0.069 (2)0.081*0.522 (11)

Atomic displacement parameters (Å2)

U11U22U33U12U13U23
C10.021 (3)0.024 (3)0.023 (3)−0.007 (2)0.001 (2)−0.004 (2)
C20.018 (3)0.025 (3)0.028 (3)0.002 (2)−0.004 (2)−0.011 (2)
C30.023 (3)0.032 (3)0.036 (3)0.002 (3)−0.008 (3)−0.007 (3)
C40.019 (3)0.045 (4)0.027 (3)−0.009 (3)−0.001 (3)−0.005 (3)
C50.026 (3)0.025 (3)0.029 (3)−0.006 (2)0.004 (3)−0.003 (2)
C60.026 (3)0.027 (3)0.025 (3)−0.007 (2)0.001 (3)0.003 (2)
C70.022 (3)0.021 (3)0.030 (3)−0.010 (2)−0.009 (3)0.007 (2)
C80.022 (3)0.030 (3)0.025 (3)0.000 (3)−0.002 (3)0.004 (2)
C90.025 (3)0.032 (3)0.034 (3)−0.003 (3)−0.003 (3)0.006 (3)
C100.027 (3)0.023 (3)0.033 (3)−0.010 (3)−0.008 (3)0.004 (2)
C110.032 (4)0.029 (3)0.018 (2)−0.015 (3)−0.007 (3)0.003 (2)
C120.026 (3)0.026 (3)0.021 (2)−0.003 (2)−0.002 (2)−0.003 (2)
C130.018 (3)0.023 (3)0.022 (2)−0.003 (2)−0.003 (2)0.004 (2)
C140.024 (3)0.024 (3)0.025 (3)0.000 (2)−0.003 (2)−0.005 (2)
C150.021 (3)0.027 (3)0.028 (3)0.004 (2)0.005 (3)−0.003 (2)
C160.022 (3)0.026 (3)0.037 (3)−0.001 (2)−0.001 (3)0.000 (2)
C170.033 (4)0.026 (3)0.032 (3)−0.007 (2)−0.015 (3)0.004 (2)
C180.025 (3)0.027 (3)0.025 (3)−0.005 (2)−0.007 (3)0.001 (2)
C190.017 (3)0.027 (3)0.019 (2)0.001 (2)−0.002 (2)−0.004 (2)
C200.017 (3)0.023 (3)0.027 (3)−0.006 (2)0.004 (3)−0.006 (2)
C210.031 (4)0.029 (3)0.035 (3)−0.015 (3)−0.003 (3)0.000 (3)
C220.025 (3)0.030 (3)0.027 (3)−0.009 (2)−0.010 (3)0.002 (2)
C230.035 (4)0.020 (3)0.026 (3)−0.001 (3)−0.011 (3)−0.003 (2)
C240.025 (3)0.025 (3)0.022 (3)−0.007 (2)−0.005 (3)−0.002 (2)
P10.0217 (8)0.0226 (6)0.0227 (6)−0.0036 (5)−0.0052 (6)−0.0003 (5)
C310.014 (3)0.037 (3)0.013 (2)−0.006 (2)0.004 (2)−0.005 (2)
C320.019 (3)0.026 (3)0.028 (3)−0.001 (2)0.001 (3)−0.005 (2)
C330.023 (3)0.046 (4)0.031 (3)−0.003 (3)−0.005 (3)0.003 (3)
C340.022 (3)0.044 (4)0.026 (3)−0.013 (3)0.003 (3)−0.002 (3)
C350.025 (4)0.039 (3)0.029 (3)−0.009 (3)0.016 (3)0.000 (3)
C360.027 (3)0.023 (3)0.034 (3)−0.006 (2)0.003 (3)0.007 (2)
C370.019 (3)0.030 (3)0.024 (3)−0.003 (2)−0.001 (3)0.001 (2)
C380.022 (3)0.032 (3)0.023 (3)−0.001 (2)−0.002 (3)−0.001 (2)
C390.028 (4)0.032 (3)0.028 (3)0.000 (3)−0.005 (3)0.003 (3)
C400.033 (4)0.038 (4)0.041 (3)−0.004 (3)−0.015 (3)0.016 (3)
C410.023 (4)0.047 (4)0.038 (3)0.001 (3)0.001 (3)0.015 (3)
C420.029 (4)0.047 (4)0.026 (3)−0.007 (3)0.000 (3)0.009 (3)
C430.019 (3)0.035 (3)0.017 (3)−0.001 (3)−0.001 (2)−0.003 (2)
C440.026 (4)0.032 (3)0.022 (3)−0.006 (3)0.000 (3)−0.001 (2)
C450.027 (4)0.044 (4)0.030 (3)−0.011 (3)−0.002 (3)−0.003 (3)
C460.022 (3)0.037 (3)0.025 (3)0.001 (3)−0.003 (3)−0.009 (3)
C470.029 (4)0.035 (3)0.027 (3)−0.003 (3)−0.005 (3)−0.003 (3)
C480.029 (4)0.037 (3)0.020 (3)−0.005 (3)−0.002 (3)0.004 (2)
C490.018 (3)0.036 (3)0.021 (3)−0.007 (2)−0.004 (2)0.003 (2)
C500.025 (3)0.026 (3)0.018 (2)−0.001 (2)0.004 (2)−0.002 (2)
C510.029 (3)0.034 (3)0.020 (3)−0.007 (3)0.001 (3)0.013 (2)
C520.024 (3)0.041 (3)0.043 (3)−0.011 (3)−0.002 (3)0.010 (3)
C530.033 (4)0.048 (4)0.048 (4)−0.019 (3)−0.014 (3)0.011 (3)
C540.029 (4)0.042 (4)0.032 (3)−0.014 (3)−0.006 (3)0.004 (3)
P20.0217 (9)0.0299 (10)0.0171 (9)−0.0043 (7)−0.0029 (8)0.0016 (8)
C610.023 (3)0.023 (3)0.027 (3)−0.004 (2)−0.004 (3)−0.004 (2)
C620.027 (3)0.029 (3)0.026 (3)−0.006 (2)−0.008 (3)−0.005 (2)
C630.029 (4)0.030 (3)0.028 (3)−0.007 (3)−0.009 (3)0.003 (2)
C640.032 (4)0.038 (3)0.040 (3)−0.007 (3)−0.016 (3)0.004 (3)
C650.022 (3)0.036 (3)0.032 (3)0.002 (3)0.003 (3)−0.001 (3)
C660.029 (4)0.041 (4)0.027 (3)−0.003 (3)−0.004 (3)0.000 (3)
C670.020 (3)0.017 (3)0.040 (3)−0.002 (2)−0.012 (3)−0.002 (2)
C680.028 (3)0.012 (2)0.040 (3)−0.007 (2)−0.005 (3)−0.006 (2)
C690.032 (4)0.019 (3)0.037 (3)0.001 (2)−0.007 (3)−0.002 (2)
C700.023 (3)0.020 (3)0.057 (4)−0.010 (2)−0.007 (3)0.007 (3)
C710.041 (4)0.028 (3)0.062 (4)−0.011 (3)−0.032 (4)0.003 (3)
C720.028 (4)0.033 (3)0.043 (3)−0.008 (3)−0.013 (3)0.003 (3)
C730.021 (3)0.024 (3)0.021 (3)−0.007 (2)−0.001 (2)−0.004 (2)
C740.025 (3)0.017 (3)0.038 (3)−0.006 (2)−0.005 (3)−0.003 (2)
C750.023 (3)0.022 (3)0.031 (3)−0.003 (2)−0.007 (3)−0.003 (2)
C760.026 (3)0.032 (3)0.022 (3)−0.007 (3)−0.003 (3)−0.001 (2)
C770.024 (3)0.019 (3)0.031 (3)−0.004 (2)−0.002 (3)0.000 (2)
C780.026 (3)0.026 (3)0.027 (3)−0.007 (2)−0.005 (3)0.003 (2)
C790.018 (3)0.028 (3)0.032 (3)−0.002 (2)−0.004 (3)−0.006 (2)
C800.014 (3)0.039 (3)0.040 (3)−0.007 (3)−0.003 (3)−0.010 (3)
C810.029 (4)0.051 (4)0.045 (4)−0.010 (3)−0.014 (3)−0.008 (3)
C820.027 (4)0.047 (4)0.039 (3)−0.001 (3)−0.015 (3)−0.007 (3)
C830.038 (4)0.030 (3)0.057 (4)0.002 (3)−0.023 (4)−0.007 (3)
C840.029 (4)0.031 (3)0.037 (3)−0.004 (3)−0.016 (3)−0.001 (3)
P30.0221 (9)0.0220 (9)0.0302 (11)−0.0046 (7)−0.0084 (9)−0.0002 (9)
C910.018 (3)0.019 (3)0.028 (3)−0.003 (2)−0.002 (2)0.001 (2)
C920.023 (3)0.023 (3)0.041 (3)−0.001 (3)−0.008 (3)0.011 (3)
C930.030 (4)0.027 (3)0.034 (3)0.003 (3)−0.005 (3)−0.005 (3)
C940.026 (3)0.037 (3)0.035 (3)−0.003 (3)−0.008 (3)0.004 (3)
C950.028 (4)0.045 (4)0.043 (3)−0.015 (3)0.002 (3)0.000 (3)
C960.023 (4)0.025 (3)0.052 (4)−0.006 (3)−0.006 (3)0.002 (3)
C970.020 (3)0.028 (3)0.037 (3)−0.007 (2)−0.010 (3)0.006 (3)
C980.017 (3)0.038 (3)0.034 (3)−0.002 (3)−0.005 (3)0.008 (3)
C990.020 (3)0.042 (4)0.049 (4)−0.005 (3)−0.010 (3)0.010 (3)
C1000.019 (3)0.035 (3)0.039 (3)0.000 (3)−0.001 (3)0.012 (3)
C1010.031 (4)0.047 (4)0.039 (3)−0.001 (3)−0.007 (3)−0.002 (3)
C1020.027 (4)0.037 (4)0.040 (3)0.002 (3)−0.011 (3)−0.002 (3)
C1030.022 (3)0.036 (3)0.031 (3)−0.003 (3)−0.008 (3)−0.006 (3)
C1040.028 (3)0.045 (4)0.026 (3)−0.009 (3)−0.009 (3)0.003 (3)
C1050.029 (4)0.040 (4)0.035 (3)−0.006 (3)0.000 (3)−0.003 (3)
C1060.026 (4)0.069 (5)0.037 (3)−0.008 (3)−0.006 (3)−0.012 (3)
C1070.030 (4)0.059 (5)0.049 (4)0.015 (3)−0.020 (3)−0.013 (4)
C1080.023 (3)0.048 (4)0.046 (4)0.005 (3)−0.012 (3)−0.016 (3)
C1090.023 (3)0.018 (3)0.041 (3)−0.005 (2)−0.009 (3)0.003 (3)
C1100.027 (3)0.026 (3)0.032 (3)−0.002 (2)−0.010 (3)0.000 (2)
C1110.022 (3)0.033 (3)0.021 (3)−0.002 (3)−0.004 (3)−0.005 (2)
C1120.031 (4)0.027 (3)0.049 (4)−0.005 (3)−0.017 (3)0.006 (3)
C1130.021 (3)0.027 (3)0.045 (3)0.002 (2)−0.004 (3)−0.003 (3)
C1140.024 (4)0.033 (3)0.029 (3)0.002 (3)−0.002 (3)0.001 (3)
P40.0221 (9)0.0286 (12)0.0325 (11)−0.0022 (9)−0.0097 (8)0.0012 (10)
C1210.025 (3)0.024 (3)0.016 (2)−0.009 (2)−0.002 (2)−0.005 (2)
C1220.027 (3)0.022 (3)0.016 (2)−0.006 (2)0.002 (3)−0.002 (2)
C1230.033 (4)0.029 (3)0.016 (2)−0.006 (3)0.000 (3)−0.006 (2)
C1240.020 (3)0.039 (3)0.022 (3)−0.006 (3)0.007 (3)−0.014 (2)
C1250.034 (4)0.034 (3)0.031 (3)−0.014 (3)0.010 (3)−0.004 (3)
C1260.031 (4)0.027 (3)0.038 (3)−0.011 (3)0.002 (3)−0.012 (3)
C1270.019 (3)0.018 (3)0.027 (3)−0.009 (2)−0.003 (3)0.001 (2)
C1280.033 (3)0.026 (3)0.019 (2)−0.010 (2)−0.001 (3)−0.006 (2)
C1290.041 (4)0.027 (3)0.037 (3)−0.016 (3)−0.017 (3)0.003 (3)
C1300.026 (4)0.025 (3)0.049 (4)−0.006 (3)−0.008 (3)−0.002 (3)
C1310.024 (3)0.029 (3)0.038 (3)−0.009 (3)−0.001 (3)−0.002 (3)
C1320.016 (3)0.030 (3)0.031 (3)−0.009 (3)0.003 (3)−0.001 (2)
C1330.024 (3)0.021 (3)0.019 (2)−0.007 (2)0.003 (2)−0.006 (2)
C1340.035 (4)0.019 (3)0.026 (3)−0.013 (2)−0.002 (3)−0.003 (2)
C1350.027 (3)0.029 (3)0.028 (3)−0.007 (3)0.002 (3)−0.011 (2)
C1360.033 (4)0.042 (4)0.035 (3)−0.015 (3)−0.005 (3)−0.011 (3)
C1370.030 (3)0.039 (3)0.032 (3)−0.003 (3)−0.011 (3)−0.008 (3)
C1380.025 (3)0.028 (3)0.029 (3)−0.001 (2)−0.002 (3)−0.013 (2)
C1390.018 (3)0.019 (3)0.020 (2)−0.006 (2)0.001 (2)0.003 (2)
C1400.024 (3)0.023 (3)0.021 (3)−0.006 (2)−0.001 (2)0.000 (2)
C1410.027 (3)0.028 (3)0.022 (3)−0.009 (2)−0.004 (3)0.005 (2)
C1420.027 (3)0.022 (3)0.032 (3)−0.010 (2)−0.004 (3)0.005 (2)
C1430.029 (3)0.026 (3)0.023 (3)−0.009 (2)0.001 (3)0.005 (2)
C1440.026 (3)0.020 (3)0.022 (3)−0.002 (2)−0.003 (2)−0.002 (2)
P50.0209 (9)0.0193 (9)0.0203 (9)−0.0053 (8)−0.0017 (7)−0.0041 (8)
B10.027 (5)0.077 (6)0.061 (5)−0.002 (4)0.006 (4)−0.028 (5)
B20.037 (5)0.052 (5)0.058 (5)−0.008 (4)−0.005 (4)−0.035 (4)
B30.038 (5)0.038 (4)0.068 (5)−0.013 (4)−0.007 (4)−0.023 (4)
B110.045 (5)0.058 (5)0.051 (4)−0.007 (4)−0.003 (4)0.023 (4)
B120.033 (4)0.059 (5)0.056 (5)−0.019 (4)−0.020 (4)0.027 (4)
B130.038 (5)0.066 (6)0.070 (5)−0.017 (4)−0.027 (4)0.034 (5)
B210.039 (5)0.058 (6)0.059 (5)0.013 (4)−0.001 (4)−0.011 (4)
B220.038 (5)0.049 (5)0.060 (5)−0.003 (4)−0.015 (4)−0.019 (4)
B230.051 (6)0.078 (7)0.067 (6)−0.017 (5)−0.010 (5)−0.022 (5)
B310.050 (6)0.063 (6)0.077 (6)−0.015 (5)−0.012 (5)0.031 (5)
B320.043 (5)0.059 (5)0.054 (5)−0.010 (4)−0.018 (4)0.022 (4)
B330.041 (5)0.072 (6)0.059 (5)−0.009 (4)−0.028 (4)0.027 (4)

Geometric parameters (Å, °)

C1—C61.396 (7)C99—H990.9500
C1—C21.406 (6)C100—C1011.383 (8)
C1—P11.797 (5)C100—H1000.9500
C2—C31.396 (7)C101—C1021.387 (8)
C2—H20.9500C101—H1010.9500
C3—C41.387 (7)C102—H1020.9500
C3—H30.9500C103—C1081.384 (7)
C4—C51.378 (7)C103—C1041.405 (8)
C4—H40.9500C103—P41.790 (5)
C5—C61.393 (7)C104—C1051.386 (7)
C5—H50.9500C104—H1040.9500
C6—H60.9500C105—C1061.387 (8)
C7—C81.394 (7)C105—H1050.9500
C7—C121.410 (7)C106—C1071.388 (9)
C7—P11.795 (5)C106—H1060.9500
C8—C91.386 (6)C107—C1081.391 (7)
C8—H80.9500C107—H1070.9500
C9—C101.402 (7)C108—H1080.9500
C9—H90.9500C109—C1141.388 (8)
C10—C111.378 (7)C109—C1101.403 (7)
C10—H100.9500C109—P41.802 (5)
C11—C121.400 (6)C110—C1111.388 (6)
C11—H110.9500C110—H1100.9500
C12—H120.9500C111—C1121.373 (8)
C13—C141.400 (7)C111—H1110.9500
C13—C181.406 (6)C112—C1131.395 (8)
C13—P11.799 (5)C112—H1120.9500
C14—C151.375 (7)C113—C1141.393 (7)
C14—H140.9500C113—H1130.9500
C15—C161.396 (7)C114—H1140.9500
C15—H150.9500C121—C1221.388 (7)
C16—C171.390 (7)C121—C1261.391 (7)
C16—H160.9500C121—P51.804 (5)
C17—C181.372 (7)C122—C1231.402 (7)
C17—H170.9500C122—H1220.9500
C18—H180.9500C123—C1241.391 (8)
C19—C241.398 (7)C123—H1230.9500
C19—C201.398 (7)C124—C1251.380 (8)
C19—P11.803 (5)C124—H1240.9500
C20—C211.383 (8)C125—C1261.399 (8)
C20—H200.9500C125—H1250.9500
C21—C221.391 (7)C126—H1260.9500
C21—H210.9500C127—C1321.389 (7)
C22—C231.388 (7)C127—C1281.410 (7)
C22—H220.9500C127—P51.794 (5)
C23—C241.390 (7)C128—C1291.392 (7)
C23—H230.9500C128—H1280.9500
C24—H240.9500C129—C1301.380 (8)
C31—C361.395 (7)C129—H1290.9500
C31—C321.397 (6)C130—C1311.396 (8)
C31—P21.798 (5)C130—H1300.9500
C32—C331.387 (7)C131—C1321.391 (7)
C32—H320.9500C131—H1310.9500
C33—C341.389 (8)C132—H1320.9500
C33—H330.9500C133—C1341.398 (7)
C34—C351.388 (7)C133—C1381.407 (6)
C34—H340.9500C133—P51.788 (5)
C35—C361.404 (7)C134—C1351.380 (6)
C35—H350.9500C134—H1340.9500
C36—H360.9500C135—C1361.392 (7)
C37—C421.381 (8)C135—H1350.9500
C37—C381.407 (7)C136—C1371.383 (8)
C37—P21.792 (5)C136—H1360.9500
C38—C391.384 (7)C137—C1381.388 (7)
C38—H380.9500C137—H1370.9500
C39—C401.360 (8)C138—H1380.9500
C39—H390.9500C139—C1441.397 (6)
C40—C411.393 (8)C139—C1401.420 (6)
C40—H400.9500C139—P51.792 (5)
C41—C421.412 (7)C140—C1411.378 (7)
C41—H410.9500C140—H1400.9500
C42—H420.9500C141—C1421.393 (7)
C43—C441.401 (7)C141—H1410.9500
C43—C481.405 (7)C142—C1431.399 (7)
C43—P21.793 (5)C142—H1420.9500
C44—C451.379 (8)C143—C1441.384 (7)
C44—H440.9500C143—H1430.9500
C45—C461.398 (8)C144—H1440.9500
C45—H450.9500B1—B31.759 (10)
C46—C471.382 (8)B1—B21.767 (10)
C46—H460.9500B1—H1A0.9900
C47—C481.379 (8)B1—H1B0.9900
C47—H470.9500B1—H5A1.17 (3)
C48—H480.9500B2—B31.755 (9)
C49—C541.405 (7)B2—H2A0.9900
C49—C501.405 (6)B2—H2B0.9900
C49—P21.778 (6)B2—H5A1.21 (3)
C50—C511.372 (7)B2—H5B1.18 (3)
C50—H500.9500B3—H3A0.9900
C51—C521.390 (7)B3—H3B0.9900
C51—H510.9500B3—H5B1.17 (3)
C52—C531.390 (8)B11—B121.756 (11)
C52—H520.9500B11—B131.763 (10)
C53—C541.368 (8)B11—H11A0.9900
C53—H530.9500B11—H11B0.9900
C54—H540.9500B11—H15A1.16 (3)
C61—C661.393 (8)B12—B131.762 (9)
C61—C621.405 (7)B12—H12A0.9900
C61—P31.794 (5)B12—H12B0.9900
C62—C631.387 (6)B12—H15A1.18 (3)
C62—H620.9500B12—H15B1.17 (3)
C63—C641.370 (8)B13—H13A0.9900
C63—H630.9500B13—H13B0.9900
C64—C651.400 (8)B13—H15B1.16 (3)
C64—H640.9500B21—B231.742 (11)
C65—C661.384 (7)B21—B221.755 (10)
C65—H650.9500B21—H21A0.9900
C66—H660.9500B21—H21B0.9900
C67—C721.401 (7)B21—H25A1.17 (3)
C67—C681.407 (7)B22—B231.737 (10)
C67—P31.791 (6)B22—H22A0.9900
C68—C691.383 (7)B22—H22B0.9900
C68—H680.9500B22—H25A1.17 (3)
C69—C701.385 (7)B22—H25B1.19 (3)
C69—H690.9500B23—H23A0.9900
C70—C711.395 (8)B23—H23B0.9900
C70—H700.9500B23—H25B1.16 (3)
C71—C721.364 (8)B31—B321.726 (11)
C71—H710.9500B31—B331.738 (11)
C72—H720.9500B31—H31A0.9900
C73—C781.389 (7)B31—H31B0.9900
C73—C741.402 (6)B31—H35A1.20 (3)
C73—P31.790 (5)B32—B331.743 (9)
C74—C751.378 (6)B32—H32A0.9900
C74—H740.9500B32—H32B0.9900
C75—C761.395 (7)B32—H35A1.21 (3)
C75—H750.9500B32—H35B1.20 (3)
C76—C771.398 (6)B33—H33A0.9900
C76—H760.9500B33—H33B0.9900
C77—C781.389 (7)B33—H35B1.15 (3)
C77—H770.9500B41—B431.760 (19)
C78—H780.9500B41—B421.785 (18)
C79—C841.395 (7)B41—H41A0.9900
C79—C801.398 (8)B41—H41B0.9900
C79—P31.802 (6)B41—H45A1.21 (3)
C80—C811.377 (8)B41—H15G0.21 (15)
C80—H800.9500B42—B431.769 (17)
C81—C821.393 (8)B42—H42A0.9900
C81—H810.9500B42—H42B0.9900
C82—C831.371 (9)B42—H45A1.20 (3)
C82—H820.9500B42—H45B1.21 (3)
C83—C841.378 (8)B42—H15G1.59 (11)
C83—H830.9500B43—H43A0.9900
C84—H840.9500B43—H43B0.9900
C91—C961.395 (7)B43—H45B1.21 (3)
C91—C921.396 (7)B43—H15H1.31 (7)
C91—P41.794 (6)B141—B1431.758 (16)
C92—C931.376 (8)B141—B1421.801 (15)
C92—H920.9500B141—H14A0.9900
C93—C941.391 (8)B141—H14B0.9900
C93—H930.9500B141—H45B1.23 (6)
C94—C951.393 (8)B141—H15G1.18 (3)
C94—H940.9500B142—B1431.736 (16)
C95—C961.382 (8)B142—H14C0.9900
C95—H950.9500B142—H14D0.9900
C96—H960.9500B142—H45A1.06 (8)
C97—C1021.391 (7)B142—H15G1.20 (3)
C97—C981.400 (7)B142—H15H1.18 (3)
C97—P41.804 (6)B143—H14E0.9900
C98—C991.380 (8)B143—H14F0.9900
C98—H980.9500B143—H45B0.76 (9)
C99—C1001.399 (8)B143—H15H1.20 (3)
C6—C1—C2120.6 (5)C121—C122—H122120.5
C6—C1—P1122.2 (4)C123—C122—H122120.5
C2—C1—P1117.2 (4)C124—C123—C122120.1 (5)
C3—C2—C1119.2 (5)C124—C123—H123120.0
C3—C2—H2120.4C122—C123—H123120.0
C1—C2—H2120.4C125—C124—C123120.7 (5)
C4—C3—C2119.6 (5)C125—C124—H124119.7
C4—C3—H3120.2C123—C124—H124119.7
C2—C3—H3120.2C124—C125—C126119.6 (6)
C5—C4—C3121.2 (5)C124—C125—H125120.2
C5—C4—H4119.4C126—C125—H125120.2
C3—C4—H4119.4C121—C126—C125119.8 (5)
C4—C5—C6120.3 (5)C121—C126—H126120.1
C4—C5—H5119.9C125—C126—H126120.1
C6—C5—H5119.9C132—C127—C128120.3 (4)
C5—C6—C1119.1 (5)C132—C127—P5117.9 (4)
C5—C6—H6120.4C128—C127—P5121.8 (4)
C1—C6—H6120.4C129—C128—C127118.8 (5)
C8—C7—C12120.1 (4)C129—C128—H128120.6
C8—C7—P1117.8 (4)C127—C128—H128120.6
C12—C7—P1122.0 (4)C130—C129—C128120.4 (5)
C9—C8—C7120.9 (5)C130—C129—H129119.8
C9—C8—H8119.5C128—C129—H129119.8
C7—C8—H8119.5C129—C130—C131121.1 (5)
C8—C9—C10119.3 (5)C129—C130—H130119.4
C8—C9—H9120.3C131—C130—H130119.4
C10—C9—H9120.3C132—C131—C130118.8 (5)
C11—C10—C9119.8 (5)C132—C131—H131120.6
C11—C10—H10120.1C130—C131—H131120.6
C9—C10—H10120.1C127—C132—C131120.6 (5)
C10—C11—C12121.9 (4)C127—C132—H132119.7
C10—C11—H11119.0C131—C132—H132119.7
C12—C11—H11119.0C134—C133—C138120.4 (4)
C11—C12—C7117.9 (5)C134—C133—P5121.5 (4)
C11—C12—H12121.1C138—C133—P5118.1 (4)
C7—C12—H12121.1C135—C134—C133118.9 (5)
C14—C13—C18119.5 (5)C135—C134—H134120.5
C14—C13—P1122.9 (4)C133—C134—H134120.5
C18—C13—P1117.6 (4)C134—C135—C136120.9 (5)
C15—C14—C13120.0 (5)C134—C135—H135119.5
C15—C14—H14120.0C136—C135—H135119.5
C13—C14—H14120.0C137—C136—C135120.3 (5)
C14—C15—C16120.0 (5)C137—C136—H136119.9
C14—C15—H15120.0C135—C136—H136119.9
C16—C15—H15120.0C136—C137—C138119.8 (5)
C17—C16—C15120.1 (6)C136—C137—H137120.1
C17—C16—H16119.9C138—C137—H137120.1
C15—C16—H16119.9C137—C138—C133119.5 (5)
C18—C17—C16120.2 (5)C137—C138—H138120.2
C18—C17—H17119.9C133—C138—H138120.2
C16—C17—H17119.9C144—C139—C140119.8 (5)
C17—C18—C13120.0 (5)C144—C139—P5122.7 (4)
C17—C18—H18120.0C140—C139—P5117.4 (4)
C13—C18—H18120.0C141—C140—C139119.0 (4)
C24—C19—C20120.2 (5)C141—C140—H140120.5
C24—C19—P1122.5 (4)C139—C140—H140120.5
C20—C19—P1117.3 (4)C140—C141—C142121.5 (5)
C21—C20—C19120.3 (5)C140—C141—H141119.3
C21—C20—H20119.8C142—C141—H141119.3
C19—C20—H20119.8C141—C142—C143119.0 (5)
C20—C21—C22119.5 (5)C141—C142—H142120.5
C20—C21—H21120.3C143—C142—H142120.5
C22—C21—H21120.3C144—C143—C142120.8 (5)
C23—C22—C21120.5 (5)C144—C143—H143119.6
C23—C22—H22119.8C142—C143—H143119.6
C21—C22—H22119.8C143—C144—C139119.9 (5)
C22—C23—C24120.5 (5)C143—C144—H144120.0
C22—C23—H23119.8C139—C144—H144120.0
C24—C23—H23119.8C133—P5—C139109.5 (2)
C23—C24—C19119.0 (5)C133—P5—C127109.8 (2)
C23—C24—H24120.5C139—P5—C127107.3 (2)
C19—C24—H24120.5C133—P5—C121108.8 (2)
C7—P1—C1110.5 (2)C139—P5—C121110.8 (2)
C7—P1—C13107.6 (2)C127—P5—C121110.7 (2)
C1—P1—C13110.5 (2)B3—B1—B259.7 (4)
C7—P1—C19110.1 (2)B3—B1—H1A117.8
C1—P1—C19107.9 (2)B2—B1—H1A117.8
C13—P1—C19110.2 (2)B3—B1—H1B117.8
C36—C31—C32119.9 (5)B2—B1—H1B117.8
C36—C31—P2122.1 (4)H1A—B1—H1B114.9
C32—C31—P2117.9 (4)B3—B1—H5A97.9 (15)
C33—C32—C31119.5 (5)B2—B1—H5A42.7 (13)
C33—C32—H32120.3H1A—B1—H5A118.0
C31—C32—H32120.3H1B—B1—H5A84.3
C32—C33—C34121.4 (5)B3—B2—B159.9 (4)
C32—C33—H33119.3B3—B2—H2A117.8
C34—C33—H33119.3B1—B2—H2A117.8
C35—C34—C33119.2 (5)B3—B2—H2B117.8
C35—C34—H34120.4B1—B2—H2B117.8
C33—C34—H34120.4H2A—B2—H2B114.9
C34—C35—C36120.4 (5)B3—B2—H5A96.7 (15)
C34—C35—H35119.8B1—B2—H5A41.2 (13)
C36—C35—H35119.8H2A—B2—H5A85.4
C31—C36—C35119.7 (5)H2B—B2—H5A118.3
C31—C36—H36120.1B3—B2—H5B41.5 (12)
C35—C36—H36120.1B1—B2—H5B101.3 (14)
C42—C37—C38119.6 (5)H2A—B2—H5B96.4
C42—C37—P2117.9 (4)H2B—B2—H5B103.4
C38—C37—P2122.4 (4)H5A—B2—H5B133 (3)
C39—C38—C37118.2 (5)B2—B3—B160.4 (4)
C39—C38—H38120.9B2—B3—H3A117.7
C37—C38—H38120.9B1—B3—H3A117.7
C40—C39—C38122.5 (5)B2—B3—H3B117.7
C40—C39—H39118.8B1—B3—H3B117.7
C38—C39—H39118.8H3A—B3—H3B114.9
C39—C40—C41120.4 (5)B2—B3—H5B41.7 (12)
C39—C40—H40119.8B1—B3—H5B101.9 (13)
C41—C40—H40119.8H3A—B3—H5B103.3
C40—C41—C42118.0 (6)H3B—B3—H5B96.2
C40—C41—H41121.0B12—B11—B1360.1 (4)
C42—C41—H41121.0B12—B11—H11A117.8
C37—C42—C41121.2 (5)B13—B11—H11A117.8
C37—C42—H42119.4B12—B11—H11B117.8
C41—C42—H42119.4B13—B11—H11B117.8
C44—C43—C48119.0 (5)H11A—B11—H11B114.9
C44—C43—P2118.3 (4)B12—B11—H15A41.8 (13)
C48—C43—P2122.6 (4)B13—B11—H15A101.8 (14)
C45—C44—C43120.1 (5)H11A—B11—H15A101.4
C45—C44—H44119.9H11B—B11—H15A98.0
C43—C44—H44119.9B11—B12—B1360.2 (4)
C44—C45—C46120.2 (6)B11—B12—H12A117.8
C44—C45—H45119.9B13—B12—H12A117.8
C46—C45—H45119.9B11—B12—H12B117.8
C47—C46—C45120.1 (5)B13—B12—H12B117.8
C47—C46—H46120.0H12A—B12—H12B114.9
C45—C46—H46120.0B11—B12—H15A40.9 (13)
C48—C47—C46120.1 (5)B13—B12—H15A101.0 (14)
C48—C47—H47120.0H12A—B12—H15A98.5
C46—C47—H47120.0H12B—B12—H15A101.8
C47—C48—C43120.5 (5)B11—B12—H15B99.6 (14)
C47—C48—H48119.7B13—B12—H15B40.7 (13)
C43—C48—H48119.7H12A—B12—H15B109.6
C54—C49—C50118.9 (5)H12B—B12—H15B91.9
C54—C49—P2119.2 (4)H15A—B12—H15B140 (2)
C50—C49—P2121.9 (4)B12—B13—B1159.8 (4)
C51—C50—C49119.9 (5)B12—B13—H13A117.8
C51—C50—H50120.1B11—B13—H13A117.8
C49—C50—H50120.1B12—B13—H13B117.8
C50—C51—C52120.4 (5)B11—B13—H13B117.8
C50—C51—H51119.8H13A—B13—H13B114.9
C52—C51—H51119.8B12—B13—H15B41.2 (13)
C53—C52—C51120.4 (6)B11—B13—H15B99.6 (14)
C53—C52—H52119.8H13A—B13—H15B109.5
C51—C52—H52119.8H13B—B13—H15B91.6
C54—C53—C52119.5 (6)B23—B21—B2259.6 (4)
C54—C53—H53120.2B23—B21—H21A117.8
C52—C53—H53120.2B22—B21—H21A117.8
C53—C54—C49120.8 (5)B23—B21—H21B117.8
C53—C54—H54119.6B22—B21—H21B117.8
C49—C54—H54119.6H21A—B21—H21B115.0
C49—P2—C37108.0 (2)B23—B21—H25A101.0 (14)
C49—P2—C43110.5 (3)B22—B21—H25A41.7 (13)
C37—P2—C43110.8 (2)H21A—B21—H25A103.4
C49—P2—C31109.8 (2)H21B—B21—H25A96.4
C37—P2—C31110.1 (2)B23—B22—B2159.9 (4)
C43—P2—C31107.6 (2)B23—B22—H22A117.8
C66—C61—C62120.8 (5)B21—B22—H22A117.8
C66—C61—P3118.8 (4)B23—B22—H22B117.8
C62—C61—P3120.4 (4)B21—B22—H22B117.8
C63—C62—C61117.9 (5)H22A—B22—H22B114.9
C63—C62—H62121.0B23—B22—H25A101.3 (14)
C61—C62—H62121.0B21—B22—H25A41.7 (13)
C64—C63—C62121.6 (5)H22A—B22—H25A96.3
C64—C63—H63119.2H22B—B22—H25A103.4
C62—C63—H63119.2B23—B22—H25B41.7 (13)
C63—C64—C65120.5 (5)B21—B22—H25B99.6 (15)
C63—C64—H64119.8H22A—B22—H25B89.5
C65—C64—H64119.8H22B—B22—H25B111.6
C66—C65—C64119.1 (5)H25A—B22—H25B138 (3)
C66—C65—H65120.5B22—B23—B2160.6 (4)
C64—C65—H65120.5B22—B23—H23A117.7
C65—C66—C61120.1 (5)B21—B23—H23A117.7
C65—C66—H66120.0B22—B23—H23B117.7
C61—C66—H66120.0B21—B23—H23B117.7
C72—C67—C68119.4 (5)H23A—B23—H23B114.8
C72—C67—P3118.4 (4)B22—B23—H25B42.9 (13)
C68—C67—P3122.2 (4)B21—B23—H25B101.5 (15)
C69—C68—C67118.8 (5)H23A—B23—H25B111.0
C69—C68—H68120.6H23B—B23—H25B88.5
C67—C68—H68120.6B32—B31—B3360.4 (4)
C68—C69—C70121.2 (5)B32—B31—H31A117.7
C68—C69—H69119.4B33—B31—H31A117.7
C70—C69—H69119.4B32—B31—H31B117.7
C69—C70—C71119.8 (6)B33—B31—H31B117.7
C69—C70—H70120.1H31A—B31—H31B114.9
C71—C70—H70120.1B32—B31—H35A44.6 (14)
C72—C71—C70119.8 (5)B33—B31—H35A97.7 (17)
C72—C71—H71120.1H31A—B31—H35A122.5
C70—C71—H71120.1H31B—B31—H35A79.8
C71—C72—C67121.0 (5)B31—B32—B3360.2 (4)
C71—C72—H72119.5B31—B32—H32A117.8
C67—C72—H72119.5B33—B32—H32A117.8
C78—C73—C74119.6 (4)B31—B32—H32B117.8
C78—C73—P3122.4 (4)B33—B32—H32B117.8
C74—C73—P3118.0 (4)H32A—B32—H32B114.9
C75—C74—C73119.8 (5)B31—B32—H35A43.8 (13)
C75—C74—H74120.1B33—B32—H35A96.8 (16)
C73—C74—H74120.1H32A—B32—H35A80.5
C74—C75—C76120.6 (5)H32B—B32—H35A122.7
C74—C75—H75119.7B31—B32—H35B101.3 (14)
C76—C75—H75119.7B33—B32—H35B41.2 (12)
C75—C76—C77119.9 (5)H32A—B32—H35B98.6
C75—C76—H76120.1H32B—B32—H35B101.3
C77—C76—H76120.1H35A—B32—H35B132 (3)
C78—C77—C76119.3 (5)B31—B33—B3259.5 (4)
C78—C77—H77120.3B31—B33—H33A117.8
C76—C77—H77120.3B32—B33—H33A117.8
C73—C78—C77120.8 (4)B31—B33—H33B117.8
C73—C78—H78119.6B32—B33—H33B117.8
C77—C78—H78119.6H33A—B33—H33B115.0
C84—C79—C80119.9 (5)B31—B33—H35B102.5 (13)
C84—C79—P3122.3 (5)B32—B33—H35B43.0 (13)
C80—C79—P3117.8 (4)H33A—B33—H35B100.6
C81—C80—C79119.1 (6)H33B—B33—H35B97.8
C81—C80—H80120.5B43—B41—B4259.8 (7)
C79—C80—H80120.5B43—B41—H41A117.8
C80—C81—C82121.1 (6)B42—B41—H41A117.8
C80—C81—H81119.4B43—B41—H41B117.8
C82—C81—H81119.4B42—B41—H41B117.8
C83—C82—C81119.1 (6)H41A—B41—H41B114.9
C83—C82—H82120.4B43—B41—H45A97 (2)
C81—C82—H82120.4B42—B41—H45A41.8 (15)
C82—C83—C84121.2 (6)H41A—B41—H45A119.4
C82—C83—H83119.4H41B—B41—H45A84.2
C84—C83—H83119.4B43—B41—H15G75 (10)
C83—C84—C79119.6 (6)B42—B41—H15G24 (10)
C83—C84—H84120.2H41A—B41—H15G94.6
C79—C84—H84120.2H41B—B41—H15G130.2
C73—P3—C67111.3 (2)H45A—B41—H15G46 (10)
C73—P3—C61110.3 (2)B43—B42—B4159.4 (8)
C67—P3—C61107.6 (2)B43—B42—H42A117.8
C73—P3—C79107.3 (2)B41—B42—H42A117.8
C67—P3—C79110.2 (3)B43—B42—H42B117.8
C61—P3—C79110.2 (2)B41—B42—H42B117.8
C96—C91—C92120.0 (5)H42A—B42—H42B115.0
C96—C91—P4118.5 (4)B43—B42—H45A97 (2)
C92—C91—P4121.5 (4)B41—B42—H45A42.4 (16)
C93—C92—C91119.9 (5)H42A—B42—H45A83.8
C93—C92—H92120.1H42B—B42—H45A119.4
C91—C92—H92120.1B43—B42—H45B43.2 (15)
C92—C93—C94119.8 (5)B41—B42—H45B95 (2)
C92—C93—H93120.1H42A—B42—H45B123.9
C94—C93—H93120.1H42B—B42—H45B80.6
C93—C94—C95120.9 (6)H45A—B42—H45B137 (2)
C93—C94—H94119.5B43—B42—H15G61 (6)
C95—C94—H94119.5B41—B42—H15G3(4)
C96—C95—C94119.0 (6)H42A—B42—H15G119.7
C96—C95—H95120.5H42B—B42—H15G114.8
C94—C95—H95120.5H45A—B42—H15G42 (6)
C95—C96—C91120.4 (5)H45B—B42—H15G96 (6)
C95—C96—H96119.8B41—B43—B4260.8 (8)
C91—C96—H96119.8B41—B43—H43A117.7
C102—C97—C98120.5 (5)B42—B43—H43A117.7
C102—C97—P4122.0 (4)B41—B43—H43B117.7
C98—C97—P4117.4 (4)B42—B43—H43B117.7
C99—C98—C97119.1 (5)H43A—B43—H43B114.8
C99—C98—H98120.5B41—B43—H45B96 (2)
C97—C98—H98120.5B42—B43—H45B42.9 (15)
C98—C99—C100121.2 (6)H43A—B43—H45B123.6
C98—C99—H99119.4H43B—B43—H45B80.7
C100—C99—H99119.4B41—B43—H15H90 (2)
C101—C100—C99118.7 (6)B42—B43—H15H69 (3)
C101—C100—H100120.6H43A—B43—H15H49.3
C99—C100—H100120.6H43B—B43—H15H151.5
C100—C101—C102121.4 (6)H45B—B43—H15H91 (5)
C100—C101—H101119.3B143—B141—B14258.4 (6)
C102—C101—H101119.3B143—B141—H14A117.9
C101—C102—C97119.1 (5)B142—B141—H14A117.9
C101—C102—H102120.4B143—B141—H14B117.9
C97—C102—H102120.4B142—B141—H14B117.9
C108—C103—C104119.5 (5)H14A—B141—H14B115.1
C108—C103—P4118.2 (4)B143—B141—H45B22 (3)
C104—C103—P4122.3 (4)B142—B141—H45B80 (3)
C105—C104—C103119.6 (5)H14A—B141—H45B110.6
C105—C104—H104120.2H14B—B141—H45B109.0
C103—C104—H104120.2B143—B141—H15G99.1 (18)
C104—C105—C106120.2 (6)B142—B141—H15G41.1 (14)
C104—C105—H105119.9H14A—B141—H15G105.7
C106—C105—H105119.9H14B—B141—H15G95.5
C105—C106—C107120.6 (5)H45B—B141—H15G120 (4)
C105—C106—H106119.7B143—B142—B14159.6 (7)
C107—C106—H106119.7B143—B142—H14C117.8
C106—C107—C108119.2 (5)B141—B142—H14C117.8
C106—C107—H107120.4B143—B142—H14D117.8
C108—C107—H107120.4B141—B142—H14D117.8
C103—C108—C107120.9 (6)H14C—B142—H14D114.9
C103—C108—H108119.6B143—B142—H45A102 (3)
C107—C108—H108119.6B141—B142—H45A65 (4)
C114—C109—C110120.5 (4)H14C—B142—H45A135.0
C114—C109—P4117.8 (4)H14D—B142—H45A54.4
C110—C109—P4121.6 (4)B143—B142—H15G99.5 (17)
C111—C110—C109118.9 (5)B141—B142—H15G40.3 (14)
C111—C110—H110120.5H14C—B142—H15G95.7
C109—C110—H110120.5H14D—B142—H15G105.7
C112—C111—C110120.6 (5)H45A—B142—H15G56 (10)
C112—C111—H111119.7B143—B142—H15H43.7 (15)
C110—C111—H111119.7B141—B142—H15H97 (2)
C111—C112—C113120.9 (5)H14C—B142—H15H81.5
C111—C112—H112119.5H14D—B142—H15H121.4
C113—C112—H112119.5H45A—B142—H15H143 (4)
C114—C113—C112119.1 (5)H15G—B142—H15H129 (7)
C114—C113—H113120.4B142—B143—B14162.0 (6)
C112—C113—H113120.4B142—B143—H14E117.6
C109—C114—C113119.9 (5)B141—B143—H14E117.6
C109—C114—H114120.0B142—B143—H14F117.6
C113—C114—H114120.0B141—B143—H14F117.6
C103—P4—C91108.1 (2)H14E—B143—H14F114.7
C103—P4—C109111.3 (2)B142—B143—H45B98 (3)
C91—P4—C109110.2 (2)B141—B143—H45B36 (3)
C103—P4—C97110.1 (3)H14E—B143—H45B103.2
C91—P4—C97110.2 (3)H14F—B143—H45B100.8
C109—P4—C97106.9 (2)B142—B143—H15H42.7 (15)
C122—C121—C126120.8 (5)B141—B143—H15H98 (2)
C122—C121—P5122.1 (4)H14E—B143—H15H120.9
C126—C121—P5117.0 (4)H14F—B143—H15H81.8
C121—C122—C123119.0 (5)H45B—B143—H15H130 (4)

Footnotes

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: LH2986).

References

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