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Acta Crystallogr Sect E Struct Rep Online. 2010 July 1; 66(Pt 7): m819.
Published online 2010 June 18. doi:  10.1107/S1600536810022488
PMCID: PMC3006984

(Ferrocene­carboxyl­ato-κO)triphenyl­tin(IV)

Abstract

In the title compound, [FeSn(C5H5)(C6H5)3(C6H4O2)], the SnIV atom displays a distorted tetra­hedral coordination geometry, provided by one O atom of the monodentate ferrocene­carboxyl­ate ligand [Sn—O = 2.079 (2) Å] and by three C atoms of the three phenyl groups [average Sn—C = 2.130 (4) Å]. No classic hydrogen bonds or inter­molecular inter­actions are observed in the crystal.

Related literature

For related structures, see: Kim et al. (2007 [triangle]); Tao et al. (1997 [triangle]); Wang et al. (2007 [triangle]); Zhang et al. (2002 [triangle]); Zheng, Ma, Su et al. (2004 [triangle]); Zheng, Ma, Yang et al. (2004 [triangle]); Yu et al. (2010 [triangle]).

An external file that holds a picture, illustration, etc.
Object name is e-66-0m819-scheme1.jpg

Experimental

Crystal data

  • [FeSn(C5H5)(C6H5)3(C6H4O2)]
  • M r = 579.02
  • Triclinic, An external file that holds a picture, illustration, etc.
Object name is e-66-0m819-efi1.jpg
  • a = 10.1012 (15) Å
  • b = 11.4066 (18) Å
  • c = 11.6741 (19) Å
  • α = 98.034 (1)°
  • β = 106.107 (2)°
  • γ = 106.082 (2)°
  • V = 1207.1 (3) Å3
  • Z = 2
  • Mo Kα radiation
  • μ = 1.66 mm−1
  • T = 298 K
  • 0.50 × 0.40 × 0.38 mm

Data collection

  • Bruker SMART 1000 CCD diffractometer
  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996 [triangle]) T min = 0.491, T max = 0.571
  • 6299 measured reflections
  • 4182 independent reflections
  • 3539 reflections with I > 2σ(I)
  • R int = 0.021

Refinement

  • R[F 2 > 2σ(F 2)] = 0.030
  • wR(F 2) = 0.089
  • S = 1.01
  • 4182 reflections
  • 298 parameters
  • H-atom parameters constrained
  • Δρmax = 0.46 e Å−3
  • Δρmin = −0.70 e Å−3

Data collection: SMART (Siemens, 1996 [triangle]); cell refinement: SAINT (Siemens, 1996 [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: SHELXTL (Sheldrick, 2008 [triangle]); software used to prepare material for publication: SHELXTL.

Supplementary Material

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536810022488/zq2044sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810022488/zq2044Isup2.hkl

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

Acknowledgments

The authors are indebted to the College of Chemistry and Chemical Engineering, Liaocheng University, for the use of the diffractometer.

supplementary crystallographic information

Comment

In continuation of structural and biological activity studies of organotin compounds (Zheng, Ma, Su et al., 2004; Zheng, Ma, Yang et al., 2004), we report here the synthesis and the crystal structure of the title compound.

In the crystal structure of the title compound, [Sn(C11H9FeO2)(C6H5)3], the SnIV atom displays a distorted tetrahedral coordination geometry, provided by one O atom of the monodentate ferrocenecarboxylato ligand [Sn-O2 = 2.079 (2) Å] and by three C atoms of the three phenyl groups [average Sn-C = 2.130 (4) Å]. Bond lengths and angles involving the Sn metal centre are typical and comparable with those observed in related SnIV complexes (Zheng, Ma, Su et al., 2004; Zheng, Ma, Yang et al., 2004; Wang et al., 2007).

No classic hydrogen bonds or intermolecular interactions are observed in the crystal.

Experimental

To a stirred methanol (15 ml) solution of ferrocenecarboxyl sodium (1 mmol, 252 mg) was added triphenylchlorotin(1 mmol, 385 mg). The resulting red solution was stirred for 6 h and then the filtratation was allowed to stand at room temperature for about one week, whereupon red block crystals suitable for an X-ray diffraction analysis were obtained.

Refinement

All H atoms were placed in geometrically idealized positions (C—H 0.93 Å) and treated as riding on their parent atoms, with Uiso(H) = 1.2Ueq(C).

Figures

Fig. 1.
The molecular structure of the title compound, with atom labels and 30% probability displacement ellipsoids.

Crystal data

[FeSn(C5H5)(C6H5)3(C6H4O2)]Z = 2
Mr = 579.02F(000) = 580
Triclinic, P1Dx = 1.593 Mg m3
a = 10.1012 (15) ÅMo Kα radiation, λ = 0.71073 Å
b = 11.4066 (18) ÅCell parameters from 3523 reflections
c = 11.6741 (19) Åθ = 2.4–26.9°
α = 98.034 (1)°µ = 1.66 mm1
β = 106.107 (2)°T = 298 K
γ = 106.082 (2)°Block, red
V = 1207.1 (3) Å30.50 × 0.40 × 0.38 mm

Data collection

Bruker SMART-1000 CCD diffractometer4182 independent reflections
Radiation source: fine-focus sealed tube3539 reflections with I > 2σ(I)
graphiteRint = 0.021
phi and ω scansθmax = 25.0°, θmin = 1.9°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)h = −11→12
Tmin = 0.491, Tmax = 0.571k = −13→13
6299 measured reflectionsl = −13→10

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)] = 0.030Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.089H-atom parameters constrained
S = 1.01w = 1/[σ2(Fo2) + (0.0548P)2 + 0.1113P] where P = (Fo2 + 2Fc2)/3
4182 reflections(Δ/σ)max < 0.001
298 parametersΔρmax = 0.46 e Å3
0 restraintsΔρmin = −0.70 e Å3

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

xyzUiso*/Ueq
Sn0.15862 (3)0.36001 (2)0.13590 (2)0.03576 (11)
Fe−0.30164 (6)0.22737 (5)0.30190 (5)0.04190 (15)
O1−0.0847 (3)0.1793 (3)0.0970 (3)0.0491 (7)
O2−0.0337 (3)0.3838 (2)0.1496 (3)0.0443 (6)
C19−0.1220 (4)0.2694 (4)0.1280 (3)0.0375 (8)
C10.1397 (4)0.2675 (3)−0.0417 (3)0.0356 (8)
C70.2778 (4)0.5534 (3)0.1604 (3)0.0380 (8)
C20−0.2642 (4)0.2547 (4)0.1441 (3)0.0413 (9)
C130.2359 (4)0.2953 (4)0.2959 (3)0.0396 (8)
C20.1279 (4)0.1420 (4)−0.0740 (4)0.0453 (9)
H80.13250.0950−0.01490.054*
C60.1335 (5)0.3349 (4)−0.1312 (4)0.0474 (10)
H90.14400.4195−0.11090.057*
C21−0.3748 (4)0.1358 (4)0.1220 (4)0.0514 (10)
H10−0.37200.05310.08890.062*
C27−0.3368 (6)0.1369 (5)0.4353 (4)0.0729 (15)
H11−0.42740.07150.42780.087*
C40.0994 (5)0.1542 (4)−0.2809 (4)0.0559 (11)
H120.08400.1157−0.36130.067*
C170.2592 (5)0.1324 (5)0.4016 (5)0.0677 (13)
H130.24530.04790.39930.081*
C23−0.4528 (5)0.2901 (5)0.1981 (5)0.0666 (14)
H14−0.51320.33180.22870.080*
C30.1096 (5)0.0867 (4)−0.1922 (4)0.0528 (11)
H150.10410.0033−0.21220.063*
C22−0.4898 (5)0.1617 (5)0.1555 (4)0.0655 (13)
H16−0.58030.09850.15150.079*
C80.4041 (4)0.5854 (4)0.1286 (4)0.0533 (11)
H170.43620.52190.09990.064*
C50.1118 (5)0.2781 (4)−0.2511 (4)0.0589 (11)
H180.10570.3241−0.31100.071*
C180.2145 (4)0.1700 (4)0.2944 (4)0.0497 (10)
H190.16940.11040.22010.060*
C24−0.3112 (5)0.3517 (4)0.1938 (5)0.0584 (12)
H20−0.25800.44210.21780.070*
C120.2319 (5)0.6496 (4)0.2018 (4)0.0571 (11)
H210.14770.63140.22340.069*
C100.4356 (6)0.8009 (5)0.1798 (4)0.0708 (15)
H220.48830.88410.18690.085*
C140.3036 (5)0.3814 (4)0.4074 (4)0.0586 (11)
H230.32040.46640.41060.070*
C160.3243 (6)0.2196 (6)0.5123 (5)0.0786 (16)
H240.35250.19390.58480.094*
C28−0.3050 (7)0.2640 (5)0.4773 (5)0.0752 (15)
H25−0.36850.30390.50510.090*
C25−0.1146 (6)0.2310 (8)0.4244 (5)0.093 (2)
H26−0.02000.24450.41190.111*
C26−0.2222 (8)0.1166 (7)0.4036 (5)0.0824 (17)
H27−0.21760.03440.37090.099*
C29−0.1673 (7)0.3262 (6)0.4719 (5)0.0877 (18)
H28−0.11550.41690.49720.105*
C90.4823 (5)0.7075 (5)0.1385 (4)0.0656 (13)
H290.56660.72650.11710.079*
C150.3470 (6)0.3421 (6)0.5152 (4)0.0793 (16)
H300.39210.40100.58990.095*
C110.3109 (7)0.7730 (4)0.2113 (5)0.0798 (16)
H320.27950.83740.23910.096*

Atomic displacement parameters (Å2)

U11U22U33U12U13U23
Sn0.03738 (16)0.03568 (16)0.03835 (16)0.01117 (11)0.01736 (11)0.01373 (11)
Fe0.0444 (3)0.0463 (3)0.0446 (3)0.0188 (3)0.0219 (3)0.0183 (3)
O10.0521 (16)0.0472 (16)0.0579 (18)0.0190 (13)0.0270 (14)0.0197 (13)
O20.0395 (14)0.0443 (16)0.0595 (17)0.0157 (12)0.0253 (13)0.0227 (13)
C190.0342 (19)0.048 (2)0.035 (2)0.0132 (17)0.0141 (16)0.0203 (17)
C10.0385 (19)0.039 (2)0.0353 (19)0.0154 (16)0.0166 (16)0.0121 (16)
C70.0384 (19)0.036 (2)0.036 (2)0.0071 (16)0.0099 (16)0.0124 (16)
C200.0360 (19)0.050 (2)0.040 (2)0.0125 (17)0.0123 (16)0.0239 (18)
C130.0349 (19)0.051 (2)0.039 (2)0.0159 (17)0.0163 (16)0.0152 (17)
C20.053 (2)0.040 (2)0.051 (2)0.0182 (18)0.0224 (19)0.0200 (18)
C60.064 (3)0.038 (2)0.044 (2)0.0186 (19)0.021 (2)0.0153 (18)
C210.044 (2)0.059 (3)0.043 (2)0.003 (2)0.0133 (19)0.017 (2)
C270.107 (4)0.079 (4)0.056 (3)0.037 (3)0.047 (3)0.034 (3)
C40.066 (3)0.054 (3)0.044 (2)0.018 (2)0.020 (2)0.003 (2)
C170.068 (3)0.073 (3)0.069 (3)0.024 (3)0.022 (3)0.041 (3)
C230.047 (2)0.092 (4)0.093 (4)0.040 (3)0.040 (3)0.055 (3)
C30.064 (3)0.038 (2)0.056 (3)0.013 (2)0.026 (2)0.0052 (19)
C220.038 (2)0.090 (4)0.065 (3)0.012 (2)0.017 (2)0.029 (3)
C80.046 (2)0.053 (3)0.057 (3)0.008 (2)0.018 (2)0.017 (2)
C50.081 (3)0.061 (3)0.043 (2)0.029 (2)0.021 (2)0.023 (2)
C180.052 (2)0.054 (3)0.047 (2)0.018 (2)0.018 (2)0.022 (2)
C240.058 (3)0.062 (3)0.078 (3)0.030 (2)0.034 (2)0.045 (2)
C120.064 (3)0.046 (3)0.061 (3)0.016 (2)0.024 (2)0.009 (2)
C100.076 (3)0.048 (3)0.055 (3)−0.013 (3)0.002 (3)0.018 (2)
C140.061 (3)0.061 (3)0.048 (3)0.015 (2)0.016 (2)0.008 (2)
C160.064 (3)0.112 (5)0.059 (3)0.022 (3)0.013 (3)0.051 (3)
C280.095 (4)0.086 (4)0.056 (3)0.036 (3)0.040 (3)0.010 (3)
C250.063 (3)0.189 (7)0.043 (3)0.057 (4)0.018 (3)0.046 (4)
C260.120 (5)0.117 (5)0.058 (3)0.081 (4)0.046 (3)0.049 (3)
C290.083 (4)0.093 (4)0.055 (3)0.005 (3)0.009 (3)−0.001 (3)
C90.054 (3)0.068 (3)0.062 (3)−0.004 (2)0.017 (2)0.027 (3)
C150.074 (3)0.105 (5)0.037 (3)0.013 (3)0.006 (2)0.010 (3)
C110.110 (4)0.041 (3)0.079 (4)0.022 (3)0.024 (3)0.007 (2)

Geometric parameters (Å, °)

Sn—O22.079 (2)C4—C31.372 (6)
Sn—C12.123 (3)C4—H120.9300
Sn—C132.131 (4)C17—C161.378 (7)
Sn—C72.136 (4)C17—C181.378 (6)
Fe—C252.014 (5)C17—H130.9300
Fe—C292.021 (5)C23—C221.386 (7)
Fe—C262.026 (5)C23—C241.427 (6)
Fe—C202.029 (4)C23—H140.9800
Fe—C242.030 (4)C3—H150.9300
Fe—C232.033 (4)C22—H160.9800
Fe—C212.036 (4)C8—C91.368 (6)
Fe—C222.036 (5)C8—H170.9300
Fe—C272.042 (5)C5—H180.9300
Fe—C282.043 (5)C18—H190.9300
O1—C191.231 (4)C24—H200.9800
O2—C191.304 (4)C12—C111.384 (7)
C19—C201.467 (5)C12—H210.9300
C1—C61.378 (5)C10—C91.362 (7)
C1—C21.392 (5)C10—C111.374 (7)
C7—C121.382 (6)C10—H220.9300
C7—C81.393 (5)C14—C151.392 (7)
C20—C241.431 (6)C14—H230.9300
C20—C211.435 (5)C16—C151.345 (8)
C13—C141.380 (5)C16—H240.9300
C13—C181.382 (6)C28—C291.399 (8)
C2—C31.373 (6)C28—H250.9800
C2—H80.9300C25—C261.387 (9)
C6—C51.386 (6)C25—C291.444 (9)
C6—H90.9300C25—H260.9800
C21—C221.414 (6)C26—H270.9800
C21—H100.9800C29—H280.9800
C27—C261.376 (7)C9—H290.9300
C27—C281.379 (7)C15—H300.9300
C27—H110.9800C11—H320.9300
C4—C51.370 (6)
O2—Sn—C1114.16 (12)C26—C27—H11125.4
O2—Sn—C13102.45 (12)C28—C27—H11125.4
C1—Sn—C13122.73 (14)Fe—C27—H11125.4
O2—Sn—C797.22 (12)C5—C4—C3120.0 (4)
C1—Sn—C7106.57 (14)C5—C4—H12120.0
C13—Sn—C7110.83 (14)C3—C4—H12120.0
C25—Fe—C2941.9 (3)C16—C17—C18120.2 (5)
C25—Fe—C2640.2 (3)C16—C17—H13119.9
C29—Fe—C2668.2 (3)C18—C17—H13119.9
C25—Fe—C20108.67 (19)C22—C23—C24109.4 (4)
C29—Fe—C20124.7 (2)C22—C23—Fe70.2 (3)
C26—Fe—C20124.14 (19)C24—C23—Fe69.3 (2)
C25—Fe—C24123.3 (3)C22—C23—H14125.3
C29—Fe—C24107.1 (2)C24—C23—H14125.3
C26—Fe—C24159.9 (2)Fe—C23—H14125.3
C20—Fe—C2441.31 (17)C4—C3—C2120.3 (4)
C25—Fe—C23159.7 (3)C4—C3—H15119.9
C29—Fe—C23122.0 (3)C2—C3—H15119.9
C26—Fe—C23158.1 (3)C23—C22—C21109.4 (4)
C20—Fe—C2368.39 (17)C23—C22—Fe70.0 (3)
C24—Fe—C2341.12 (17)C21—C22—Fe69.7 (2)
C25—Fe—C21123.7 (2)C23—C22—H16125.3
C29—Fe—C21161.7 (2)C21—C22—H16125.3
C26—Fe—C21108.1 (2)Fe—C22—H16125.3
C20—Fe—C2141.33 (15)C9—C8—C7121.9 (4)
C24—Fe—C2169.90 (19)C9—C8—H17119.0
C23—Fe—C2168.3 (2)C7—C8—H17119.0
C25—Fe—C22159.5 (3)C4—C5—C6119.8 (4)
C29—Fe—C22156.5 (3)C4—C5—H18120.1
C26—Fe—C22123.5 (3)C6—C5—H18120.1
C20—Fe—C2268.30 (16)C17—C18—C13120.7 (4)
C24—Fe—C2268.7 (2)C17—C18—H19119.7
C23—Fe—C2239.8 (2)C13—C18—H19119.7
C21—Fe—C2240.62 (18)C23—C24—C20106.0 (4)
C25—Fe—C2767.4 (2)C23—C24—Fe69.6 (2)
C29—Fe—C2767.3 (2)C20—C24—Fe69.3 (2)
C26—Fe—C2739.5 (2)C23—C24—H20127.0
C20—Fe—C27158.90 (19)C20—C24—H20127.0
C24—Fe—C27158.5 (2)Fe—C24—H20127.0
C23—Fe—C27122.7 (2)C7—C12—C11120.1 (5)
C21—Fe—C27122.1 (2)C7—C12—H21119.9
C22—Fe—C27107.7 (2)C11—C12—H21119.9
C25—Fe—C2868.5 (2)C9—C10—C11120.4 (4)
C29—Fe—C2840.3 (2)C9—C10—H22119.8
C26—Fe—C2867.0 (2)C11—C10—H22119.8
C20—Fe—C28160.6 (2)C13—C14—C15120.5 (5)
C24—Fe—C28122.9 (2)C13—C14—H23119.8
C23—Fe—C28107.2 (2)C15—C14—H23119.8
C21—Fe—C28156.5 (2)C15—C16—C17119.8 (5)
C22—Fe—C28121.2 (2)C15—C16—H24120.1
C27—Fe—C2839.5 (2)C17—C16—H24120.1
C19—O2—Sn103.8 (2)C27—C28—C29108.2 (5)
O1—C19—O2120.4 (3)C27—C28—Fe70.2 (3)
O1—C19—C20122.7 (3)C29—C28—Fe69.0 (3)
O2—C19—C20116.9 (3)C27—C28—H25125.9
C6—C1—C2118.2 (3)C29—C28—H25125.9
C6—C1—Sn117.9 (3)Fe—C28—H25125.9
C2—C1—Sn123.8 (3)C26—C25—C29106.5 (5)
C12—C7—C8117.8 (4)C26—C25—Fe70.4 (3)
C12—C7—Sn122.8 (3)C29—C25—Fe69.3 (3)
C8—C7—Sn119.3 (3)C26—C25—H26126.7
C24—C20—C21108.7 (3)C29—C25—H26126.7
C24—C20—C19127.0 (4)Fe—C25—H26126.7
C21—C20—C19124.0 (4)C27—C26—C25109.2 (5)
C24—C20—Fe69.4 (2)C27—C26—Fe70.9 (3)
C21—C20—Fe69.6 (2)C25—C26—Fe69.5 (3)
C19—C20—Fe122.6 (2)C27—C26—H27125.4
C14—C13—C18118.2 (4)C25—C26—H27125.4
C14—C13—Sn118.6 (3)Fe—C26—H27125.4
C18—C13—Sn123.0 (3)C28—C29—C25106.9 (6)
C3—C2—C1120.7 (4)C28—C29—Fe70.7 (3)
C3—C2—H8119.6C25—C29—Fe68.8 (3)
C1—C2—H8119.6C28—C29—H28126.5
C1—C6—C5120.9 (4)C25—C29—H28126.5
C1—C6—H9119.5Fe—C29—H28126.5
C5—C6—H9119.5C10—C9—C8119.4 (5)
C22—C21—C20106.5 (4)C10—C9—H29120.3
C22—C21—Fe69.7 (3)C8—C9—H29120.3
C20—C21—Fe69.0 (2)C16—C15—C14120.6 (5)
C22—C21—H10126.8C16—C15—H30119.7
C20—C21—H10126.8C14—C15—H30119.7
Fe—C21—H10126.8C10—C11—C12120.3 (5)
C26—C27—C28109.2 (6)C10—C11—H32119.8
C26—C27—Fe69.6 (3)C12—C11—H32119.8
C28—C27—Fe70.3 (3)
C1—Sn—O2—C1964.2 (2)C29—Fe—C22—C21167.5 (5)
C13—Sn—O2—C19−70.7 (2)C26—Fe—C22—C21−78.5 (3)
C7—Sn—O2—C19176.0 (2)C20—Fe—C22—C2139.0 (3)
Sn—O2—C19—O1−5.6 (4)C24—Fe—C22—C2183.5 (3)
Sn—O2—C19—C20173.6 (3)C23—Fe—C22—C21120.8 (4)
O2—Sn—C1—C675.2 (3)C27—Fe—C22—C21−119.0 (3)
C13—Sn—C1—C6−160.1 (3)C28—Fe—C22—C21−160.0 (3)
C7—Sn—C1—C6−30.9 (3)C12—C7—C8—C90.6 (6)
O2—Sn—C1—C2−102.4 (3)Sn—C7—C8—C9177.8 (3)
C13—Sn—C1—C222.3 (4)C3—C4—C5—C6−0.5 (7)
C7—Sn—C1—C2151.5 (3)C1—C6—C5—C4−1.4 (7)
O2—Sn—C7—C1213.0 (4)C16—C17—C18—C130.9 (7)
C1—Sn—C7—C12130.9 (3)C14—C13—C18—C170.3 (6)
C13—Sn—C7—C12−93.3 (4)Sn—C13—C18—C17−176.2 (3)
O2—Sn—C7—C8−164.1 (3)C22—C23—C24—C201.1 (5)
C1—Sn—C7—C8−46.2 (3)Fe—C23—C24—C2060.1 (3)
C13—Sn—C7—C889.6 (3)C22—C23—C24—Fe−58.9 (3)
O1—C19—C20—C24171.8 (4)C21—C20—C24—C23−1.6 (5)
O2—C19—C20—C24−7.4 (6)C19—C20—C24—C23−176.2 (4)
O1—C19—C20—C21−2.1 (6)Fe—C20—C24—C23−60.2 (3)
O2—C19—C20—C21178.7 (3)C21—C20—C24—Fe58.7 (3)
O1—C19—C20—Fe84.1 (4)C19—C20—C24—Fe−116.0 (4)
O2—C19—C20—Fe−95.1 (4)C25—Fe—C24—C23−162.5 (4)
C25—Fe—C20—C24−119.5 (3)C29—Fe—C24—C23−119.3 (4)
C29—Fe—C20—C24−75.7 (4)C26—Fe—C24—C23167.6 (6)
C26—Fe—C20—C24−161.3 (3)C20—Fe—C24—C23117.1 (4)
C23—Fe—C20—C2439.0 (3)C21—Fe—C24—C2379.7 (3)
C21—Fe—C20—C24120.4 (3)C22—Fe—C24—C2336.2 (3)
C22—Fe—C20—C2482.0 (3)C27—Fe—C24—C23−48.1 (7)
C27—Fe—C20—C24164.9 (5)C28—Fe—C24—C23−78.1 (4)
C28—Fe—C20—C24−41.3 (7)C25—Fe—C24—C2080.4 (3)
C25—Fe—C20—C21120.1 (3)C29—Fe—C24—C20123.6 (3)
C29—Fe—C20—C21164.0 (3)C26—Fe—C24—C2050.5 (8)
C26—Fe—C20—C2178.3 (4)C23—Fe—C24—C20−117.1 (4)
C24—Fe—C20—C21−120.4 (3)C21—Fe—C24—C20−37.4 (2)
C23—Fe—C20—C21−81.3 (3)C22—Fe—C24—C20−80.9 (3)
C22—Fe—C20—C21−38.3 (3)C27—Fe—C24—C20−165.2 (5)
C27—Fe—C20—C2144.5 (6)C28—Fe—C24—C20164.8 (3)
C28—Fe—C20—C21−161.6 (6)C8—C7—C12—C11−0.3 (6)
C25—Fe—C20—C192.0 (4)Sn—C7—C12—C11−177.5 (4)
C29—Fe—C20—C1945.9 (4)C18—C13—C14—C15−0.9 (6)
C26—Fe—C20—C19−39.8 (4)Sn—C13—C14—C15175.7 (4)
C24—Fe—C20—C19121.6 (4)C18—C17—C16—C15−1.4 (8)
C23—Fe—C20—C19160.6 (4)C26—C27—C28—C290.2 (6)
C21—Fe—C20—C19−118.1 (4)Fe—C27—C28—C29−58.7 (4)
C22—Fe—C20—C19−156.4 (4)C26—C27—C28—Fe58.9 (4)
C27—Fe—C20—C19−73.5 (7)C25—Fe—C28—C27−80.1 (4)
C28—Fe—C20—C1980.3 (7)C29—Fe—C28—C27−119.6 (5)
O2—Sn—C13—C14−77.8 (3)C26—Fe—C28—C27−36.6 (4)
C1—Sn—C13—C14152.4 (3)C20—Fe—C28—C27−165.5 (5)
C7—Sn—C13—C1425.0 (3)C24—Fe—C28—C27163.2 (3)
O2—Sn—C13—C1898.6 (3)C23—Fe—C28—C27120.9 (4)
C1—Sn—C13—C18−31.2 (4)C21—Fe—C28—C2745.9 (7)
C7—Sn—C13—C18−158.6 (3)C22—Fe—C28—C2779.7 (4)
C6—C1—C2—C3−0.4 (6)C25—Fe—C28—C2939.4 (4)
Sn—C1—C2—C3177.1 (3)C26—Fe—C28—C2982.9 (4)
C2—C1—C6—C51.9 (6)C20—Fe—C28—C29−46.0 (8)
Sn—C1—C6—C5−175.9 (3)C24—Fe—C28—C29−77.2 (4)
C24—C20—C21—C221.4 (5)C23—Fe—C28—C29−119.5 (4)
C19—C20—C21—C22176.3 (4)C21—Fe—C28—C29165.5 (5)
Fe—C20—C21—C2259.9 (3)C22—Fe—C28—C29−160.7 (4)
C24—C20—C21—Fe−58.5 (3)C27—Fe—C28—C29119.6 (5)
C19—C20—C21—Fe116.3 (3)C29—Fe—C25—C26117.2 (5)
C25—Fe—C21—C22162.3 (4)C20—Fe—C25—C26−121.2 (3)
C29—Fe—C21—C22−164.1 (7)C24—Fe—C25—C26−164.6 (3)
C26—Fe—C21—C22120.8 (3)C23—Fe—C25—C26160.8 (5)
C20—Fe—C21—C22−117.7 (4)C21—Fe—C25—C26−77.9 (3)
C24—Fe—C21—C22−80.4 (3)C22—Fe—C25—C26−43.4 (7)
C23—Fe—C21—C22−36.3 (3)C27—Fe—C25—C2636.6 (3)
C27—Fe—C21—C2279.6 (4)C28—Fe—C25—C2679.3 (3)
C28—Fe—C21—C2247.0 (6)C26—Fe—C25—C29−117.2 (5)
C25—Fe—C21—C20−79.9 (4)C20—Fe—C25—C29121.6 (3)
C29—Fe—C21—C20−46.3 (8)C24—Fe—C25—C2978.2 (4)
C26—Fe—C21—C20−121.5 (3)C23—Fe—C25—C2943.5 (7)
C24—Fe—C21—C2037.3 (2)C21—Fe—C25—C29164.9 (3)
C23—Fe—C21—C2081.5 (3)C22—Fe—C25—C29−160.6 (5)
C22—Fe—C21—C20117.7 (4)C27—Fe—C25—C29−80.6 (4)
C27—Fe—C21—C20−162.7 (3)C28—Fe—C25—C29−37.9 (4)
C28—Fe—C21—C20164.8 (5)C28—C27—C26—C25−0.3 (6)
C25—Fe—C27—C26−37.2 (4)Fe—C27—C26—C2559.1 (4)
C29—Fe—C27—C26−82.8 (4)C28—C27—C26—Fe−59.3 (4)
C20—Fe—C27—C2646.3 (7)C29—C25—C26—C270.2 (6)
C24—Fe—C27—C26−161.7 (6)Fe—C25—C26—C27−59.9 (4)
C23—Fe—C27—C26162.8 (4)C29—C25—C26—Fe60.2 (4)
C21—Fe—C27—C2679.4 (4)C25—Fe—C26—C27120.1 (5)
C22—Fe—C27—C26121.6 (4)C29—Fe—C26—C2780.3 (4)
C28—Fe—C27—C26−120.4 (6)C20—Fe—C26—C27−161.7 (3)
C25—Fe—C27—C2883.2 (4)C24—Fe—C26—C27160.4 (6)
C29—Fe—C27—C2837.6 (4)C23—Fe—C26—C27−42.0 (8)
C26—Fe—C27—C28120.4 (6)C21—Fe—C26—C27−118.8 (4)
C20—Fe—C27—C28166.6 (5)C22—Fe—C26—C27−76.7 (4)
C24—Fe—C27—C28−41.3 (8)C28—Fe—C26—C2736.6 (3)
C23—Fe—C27—C28−76.8 (4)C29—Fe—C26—C25−39.8 (3)
C21—Fe—C27—C28−160.2 (3)C20—Fe—C26—C2578.2 (4)
C22—Fe—C27—C28−118.0 (4)C24—Fe—C26—C2540.3 (8)
C25—Fe—C23—C22167.1 (5)C23—Fe—C26—C25−162.1 (6)
C29—Fe—C23—C22−160.0 (3)C21—Fe—C26—C25121.1 (3)
C26—Fe—C23—C22−47.7 (7)C22—Fe—C26—C25163.3 (3)
C20—Fe—C23—C2281.6 (3)C27—Fe—C26—C25−120.1 (5)
C24—Fe—C23—C22120.8 (4)C28—Fe—C26—C25−83.5 (4)
C21—Fe—C23—C2237.0 (3)C27—C28—C29—C25−0.1 (6)
C27—Fe—C23—C22−78.1 (4)Fe—C28—C29—C25−59.5 (4)
C28—Fe—C23—C22−118.5 (3)C27—C28—C29—Fe59.5 (4)
C25—Fe—C23—C2446.3 (7)C26—C25—C29—C28−0.1 (6)
C29—Fe—C23—C2479.2 (4)Fe—C25—C29—C2860.8 (4)
C26—Fe—C23—C24−168.5 (5)C26—C25—C29—Fe−60.9 (3)
C20—Fe—C23—C24−39.2 (3)C25—Fe—C29—C28−117.8 (6)
C21—Fe—C23—C24−83.8 (3)C26—Fe—C29—C28−79.7 (4)
C22—Fe—C23—C24−120.8 (4)C20—Fe—C29—C28163.1 (3)
C27—Fe—C23—C24161.1 (3)C24—Fe—C29—C28121.1 (4)
C28—Fe—C23—C24120.7 (3)C23—Fe—C29—C2878.6 (4)
C5—C4—C3—C22.0 (7)C21—Fe—C29—C28−161.4 (6)
C1—C2—C3—C4−1.5 (6)C22—Fe—C29—C2845.3 (8)
C24—C23—C22—C21−0.3 (6)C27—Fe—C29—C28−36.8 (4)
Fe—C23—C22—C21−58.6 (3)C26—Fe—C29—C2538.1 (3)
C24—C23—C22—Fe58.4 (3)C20—Fe—C29—C25−79.1 (4)
C20—C21—C22—C23−0.7 (5)C24—Fe—C29—C25−121.1 (4)
Fe—C21—C22—C2358.8 (3)C23—Fe—C29—C25−163.6 (4)
C20—C21—C22—Fe−59.5 (3)C21—Fe—C29—C25−43.6 (9)
C25—Fe—C22—C23−167.2 (6)C22—Fe—C29—C25163.1 (5)
C29—Fe—C22—C2346.7 (7)C27—Fe—C29—C2581.0 (4)
C26—Fe—C22—C23160.7 (3)C28—Fe—C29—C25117.8 (6)
C20—Fe—C22—C23−81.9 (3)C11—C10—C9—C8−0.1 (7)
C24—Fe—C22—C23−37.3 (3)C7—C8—C9—C10−0.4 (7)
C21—Fe—C22—C23−120.8 (4)C17—C16—C15—C140.8 (9)
C27—Fe—C22—C23120.2 (3)C13—C14—C15—C160.3 (8)
C28—Fe—C22—C2379.2 (3)C9—C10—C11—C120.3 (8)
C25—Fe—C22—C21−46.4 (7)C7—C12—C11—C10−0.1 (7)

Footnotes

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: ZQ2044).

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