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Acta Crystallographica Section E: Structure Reports Online logoLink to Acta Crystallographica Section E: Structure Reports Online
. 2008 Nov 26;64(Pt 12):m1614. doi: 10.1107/S1600536808038567

cyclo-Hexa-μ2-diphenyl­acetato-κ12 O:O′-hexa-μ3-oxido-hexa­kis[phenyl­tin(IV)]

Mostafa M Amini a, Taraneh Hajiashrafi b, Ali Nemati Kharat b, Seik Weng Ng c,*
PMCID: PMC2960123  PMID: 21581207

Abstract

In the cyclo­hexa­meric centrosymmetric title compound, [Sn6(C6H5)6(C14H11O2)6O6], each bridging oxide O atom is connected to three Sn atoms and each carboxyl­ate group bridges a pair of Sn atoms so that the three independent Sn atoms all adopt SnCO5 distorted octa­hedral geometries, resulting in a drum-shaped Sn6O6 core.

Related literature

For examples of drum-shaped cyclo­hexa­meric oxophenyl­tin(IV) carboxyl­ates, see: Alcock & Roe (1989); Chandrasekhar et al. (1985); Yin et al. (2003); Zhang et al. (2005). For reviews of organotin carboxyl­ates, see: Tiekink (1991, 1994).graphic file with name e-64-m1614-scheme1.jpg

Experimental

Crystal data

  • [Sn6(C6H5)6(C14H11O2)6O6]

  • M r = 2538.11

  • Triclinic, Inline graphic

  • a = 12.9375 (2) Å

  • b = 14.7406 (2) Å

  • c = 14.8043 (2) Å

  • α = 103.368 (1)°

  • β = 111.716 (1)°

  • γ = 92.582 (1)°

  • V = 2525.06 (6) Å3

  • Z = 1

  • Mo Kα radiation

  • μ = 1.53 mm−1

  • T = 112 (2) K

  • 0.25 × 0.20 × 0.17 mm

Data collection

  • Bruker APEXII diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T min = 0.701, T max = 0.781

  • 37375 measured reflections

  • 11415 independent reflections

  • 9692 reflections with I > 2σ(I)

  • R int = 0.041

Refinement

  • R[F 2 > 2σ(F 2)] = 0.034

  • wR(F 2) = 0.117

  • S = 1.18

  • 11415 reflections

  • 541 parameters

  • H-atom parameters constrained

  • Δρmax = 0.94 e Å−3

  • Δρmin = −2.31 e Å−3

Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT (Bruker, 2004); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2008).

Supplementary Material

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536808038567/hb2814sup1.cif

e-64-m1614-sup1.cif (41.3KB, cif)

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808038567/hb2814Isup2.hkl

e-64-m1614-Isup2.hkl (558.1KB, hkl)

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

Table 1. Selected bond lengths (Å).

Sn1—O9i 2.070 (3)
Sn1—O8 2.082 (3)
Sn1—O7 2.094 (3)
Sn1—O3 2.153 (3)
Sn1—O1 2.170 (3)
Sn1—C1 2.1336 (18)
Sn2—O7 2.072 (3)
Sn2—O9 2.088 (3)
Sn2—O8 2.089 (3)
Sn2—O4 2.163 (3)
Sn2—O5 2.171 (3)
Sn2—C7 2.1250 (18)
Sn3—O7i 2.073 (3)
Sn3—O8 2.076 (3)
Sn3—O9 2.125 (3)
Sn3—O2i 2.148 (3)
Sn3—O6 2.158 (3)
Sn3—C13 2.1181 (18)

Symmetry code: (i) Inline graphic.

Acknowledgments

We thank the University of Canterbury, New Zealand, for the diffraction measurements. We thank the Vice-President’s Office for Research Affairs of Shahid Beheshti University and the University of Malaya for supporting this work.

supplementary crystallographic information

Comment

The drum-shaped Sn6O6 core found for the title compound, (I), cyclohexameric [SnO(C6H5)[O2CCH(C6H5)2]6 or triphenyltin 2-hydroxy-3-phenylpropionate (Fig. 1) is similar to those seen in related structures (Alcock & Roe, 1989; Chandrasekhar et al., 1985; Yin et al., 2003; Zhang et al., 2005. For reviews of organotin carboxylates, see: Tiekink (1991, 1994).

Experimental

Triphenyltin hydroxide (1.0 g, 2.7 mmol) and diphenylacetic acid (0.58 g, 2.7 mmol) were heated in toluene (100 ml) in a Dean-Stark water separator until all the water had been removed. The solvent was removed under reduced pressure to leave a white powder; colourless blocks of (I) were recrystallized from a mixture of hexane and diethyl ether (1:1 v/v) at 268 K (m.p. 370–371 K).

IR (KBr, cm-1): 1551 (CO, asym), 1412 (CO, sym), 566, 609 (Sn—C). 1HNMR (CDCl3): 2.21 (s, 1H),6.7–7.7 (20H, C6H5) p.p.m.. 13CNMR (CDCl3): 59.7 (CH), 128.4(Cmeta), 129.0 (Cpara), 136.8 (Cortho), 137.8(Cipso), 180.0 (CO) p.p.m.. 119SnNMR (CDCl3): -85.6 p.p.m.. Mass spectrum (m/e): 485 (M—Ph) [Ph3SnO2CCHPh]+.

Refinement

The aromatic rings were refined as rigid hexagons (C—C = 1.39 Å). The carbon-bound hydrogen atoms were placed in calculated positions (C—H = 0.95Å) and refined as riding with Uiso(H) = 1.2Ueq(C). The deepest difference hole is 1 Å from Sn2.

Figures

Fig. 1.

Fig. 1.

View of (I) with displacement ellipsoids for the non-hydrogen atoms drawn at the 70% probability level.

Crystal data

[Sn6(C6H5)6(C14H11O2)6O6] Z = 1
Mr = 2538.11 F000 = 1260
Triclinic, P1 Dx = 1.669 Mg m3
Hall symbol: -P 1 Mo Kα radiation λ = 0.71073 Å
a = 12.9375 (2) Å Cell parameters from 9896 reflections
b = 14.7406 (2) Å θ = 2.4–32.5º
c = 14.8043 (2) Å µ = 1.53 mm1
α = 103.368 (1)º T = 112 (2) K
β = 111.716 (1)º Block, colorless
γ = 92.582 (1)º 0.25 × 0.20 × 0.17 mm
V = 2525.06 (6) Å3

Data collection

Bruker APEXII diffractometer 11415 independent reflections
Radiation source: medium-focus sealed tube 9692 reflections with I > 2σ(I)
Monochromator: graphite Rint = 0.041
T = 112(2) K θmax = 27.5º
φ and ω scans θmin = 1.4º
Absorption correction: Multi-scan(SADABS; Sheldrick, 1996) h = −16→16
Tmin = 0.701, Tmax = 0.781 k = −19→19
37375 measured reflections l = −19→19

Refinement

Refinement on F2 Secondary atom site location: difference Fourier map
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.034 H-atom parameters constrained
wR(F2) = 0.118   w = 1/[σ2(Fo2) + (0.0656P)2 + 0.8272P] where P = (Fo2 + 2Fc2)/3
S = 1.18 (Δ/σ)max = 0.001
11415 reflections Δρmax = 0.94 e Å3
541 parameters Δρmin = −2.31 e Å3
Primary atom site location: structure-invariant direct methods Extinction correction: none

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

x y z Uiso*/Ueq
Sn1 0.53479 (2) 0.665112 (17) 0.603202 (18) 0.00889 (7)
Sn2 0.41572 (2) 0.479921 (17) 0.623742 (18) 0.00872 (7)
Sn3 0.65401 (2) 0.436746 (17) 0.615334 (18) 0.00909 (7)
O1 0.4513 (2) 0.78091 (19) 0.5569 (2) 0.0138 (6)
O2 0.3127 (2) 0.70644 (19) 0.4092 (2) 0.0134 (6)
O3 0.4792 (2) 0.71780 (18) 0.7232 (2) 0.0126 (5)
O4 0.3990 (2) 0.58887 (18) 0.7415 (2) 0.0134 (6)
O5 0.4928 (2) 0.42566 (19) 0.7539 (2) 0.0131 (5)
O6 0.6614 (2) 0.40039 (19) 0.7504 (2) 0.0133 (6)
O7 0.3820 (2) 0.57419 (18) 0.53567 (19) 0.0096 (5)
O8 0.5761 (2) 0.54875 (18) 0.65948 (19) 0.0099 (5)
O9 0.4812 (2) 0.37808 (18) 0.54526 (19) 0.0100 (5)
C1 0.68854 (19) 0.75777 (16) 0.69348 (17) 0.0130 (8)
C2 0.7322 (2) 0.82506 (19) 0.66001 (16) 0.0198 (9)
H2 0.7016 0.8237 0.5906 0.024*
C3 0.8206 (2) 0.89432 (17) 0.7281 (2) 0.0286 (11)
H3 0.8504 0.9403 0.7053 0.034*
C4 0.8653 (2) 0.89630 (19) 0.8297 (2) 0.0292 (11)
H4 0.9257 0.9436 0.8763 0.035*
C5 0.8216 (2) 0.8290 (2) 0.86321 (15) 0.0335 (12)
H5 0.8522 0.8304 0.9326 0.040*
C6 0.7333 (2) 0.75976 (19) 0.79508 (19) 0.0251 (10)
H6 0.7034 0.7138 0.8180 0.030*
C7 0.25612 (17) 0.40475 (17) 0.5900 (2) 0.0135 (8)
C8 0.1648 (2) 0.45162 (14) 0.5880 (2) 0.0214 (9)
H8 0.1717 0.5179 0.5972 0.026*
C9 0.06332 (19) 0.4015 (2) 0.5725 (3) 0.0281 (11)
H9 0.0009 0.4336 0.5711 0.034*
C10 0.05322 (19) 0.3045 (2) 0.5590 (3) 0.0364 (13)
H10 −0.0161 0.2703 0.5484 0.044*
C11 0.1446 (2) 0.25768 (14) 0.5610 (3) 0.0339 (12)
H11 0.1377 0.1914 0.5518 0.041*
C12 0.2460 (2) 0.30777 (17) 0.5765 (2) 0.0229 (9)
H12 0.3085 0.2757 0.5779 0.028*
C13 0.82641 (15) 0.49468 (18) 0.68507 (19) 0.0124 (7)
C14 0.86491 (19) 0.57261 (18) 0.66235 (19) 0.0182 (8)
H14 0.8135 0.6012 0.6165 0.022*
C15 0.9786 (2) 0.60878 (17) 0.7066 (2) 0.0259 (10)
H15 1.0049 0.6620 0.6911 0.031*
C16 1.05382 (16) 0.5670 (2) 0.7737 (2) 0.0276 (10)
H16 1.1315 0.5917 0.8039 0.033*
C17 1.01532 (19) 0.4891 (2) 0.7964 (2) 0.0262 (10)
H17 1.0667 0.4605 0.8422 0.031*
C18 0.9016 (2) 0.45292 (16) 0.7521 (2) 0.0191 (9)
H18 0.8753 0.3997 0.7676 0.023*
C19 0.3723 (3) 0.7794 (3) 0.4741 (3) 0.0126 (8)
C20 0.3523 (3) 0.8741 (3) 0.4514 (3) 0.0135 (8)
H20 0.3833 0.9233 0.5175 0.016*
C21 0.22811 (16) 0.88231 (19) 0.40101 (19) 0.0155 (8)
C22 0.1608 (2) 0.82467 (17) 0.30603 (19) 0.0199 (9)
H22 0.1920 0.7789 0.2711 0.024*
C23 0.0479 (2) 0.83396 (19) 0.26215 (17) 0.0267 (10)
H23 0.0019 0.7946 0.1972 0.032*
C24 0.00225 (16) 0.9009 (2) 0.3133 (2) 0.0271 (10)
H24 −0.0749 0.9072 0.2833 0.033*
C25 0.0695 (2) 0.95852 (19) 0.4082 (2) 0.0264 (10)
H25 0.0384 1.0043 0.4432 0.032*
C26 0.1825 (2) 0.94924 (18) 0.45212 (16) 0.0207 (9)
H26 0.2285 0.9886 0.5170 0.025*
C27 0.4212 (2) 0.89411 (18) 0.38980 (19) 0.0149 (8)
C28 0.5037 (2) 0.84157 (16) 0.3770 (2) 0.0194 (9)
H28 0.5175 0.7884 0.4035 0.023*
C29 0.5661 (2) 0.86681 (19) 0.3254 (2) 0.0240 (9)
H29 0.6225 0.8309 0.3167 0.029*
C30 0.5459 (2) 0.94460 (19) 0.2867 (2) 0.0251 (10)
H30 0.5885 0.9619 0.2514 0.030*
C31 0.4634 (2) 0.99714 (16) 0.2995 (2) 0.0226 (9)
H31 0.4496 1.0503 0.2730 0.027*
C32 0.4010 (2) 0.97190 (17) 0.3511 (2) 0.0189 (9)
H32 0.3446 1.0078 0.3598 0.023*
C33 0.4280 (3) 0.6769 (3) 0.7630 (3) 0.0110 (7)
C34 0.3966 (3) 0.7386 (3) 0.8440 (3) 0.0131 (8)
H34 0.3771 0.6968 0.8816 0.016*
C35 0.4958 (2) 0.81260 (17) 0.92017 (18) 0.0152 (8)
C36 0.5220 (2) 0.89622 (19) 0.89992 (17) 0.0242 (10)
H36 0.4782 0.9082 0.8375 0.029*
C37 0.6122 (3) 0.96228 (16) 0.9709 (2) 0.0311 (11)
H37 0.6301 1.0194 0.9571 0.037*
C38 0.6763 (2) 0.94472 (19) 1.0622 (2) 0.0322 (11)
H38 0.7379 0.9899 1.1108 0.039*
C39 0.6501 (2) 0.8611 (2) 1.08246 (17) 0.0322 (11)
H39 0.6939 0.8491 1.1448 0.039*
C40 0.5599 (2) 0.79503 (16) 1.0114 (2) 0.0253 (10)
H40 0.5420 0.7379 1.0253 0.030*
C41 0.29135 (18) 0.78216 (19) 0.79501 (19) 0.0138 (8)
C42 0.2700 (2) 0.8122 (2) 0.7083 (2) 0.0235 (10)
H42 0.3210 0.8049 0.6755 0.028*
C43 0.1739 (2) 0.8529 (2) 0.66953 (19) 0.0290 (11)
H43 0.1593 0.8734 0.6103 0.035*
C44 0.09925 (19) 0.8636 (2) 0.7175 (2) 0.0267 (10)
H44 0.0336 0.8914 0.6910 0.032*
C45 0.1206 (2) 0.8335 (2) 0.8042 (2) 0.0235 (9)
H45 0.0696 0.8408 0.8370 0.028*
C46 0.2167 (2) 0.7928 (2) 0.84299 (17) 0.0196 (9)
H46 0.2313 0.7723 0.9023 0.023*
C47 0.5914 (3) 0.4068 (3) 0.7913 (3) 0.0128 (7)
C48 0.6309 (3) 0.3932 (3) 0.8978 (3) 0.0147 (8)
H48 0.5642 0.3636 0.9048 0.018*
C49 0.72011 (19) 0.32657 (17) 0.9159 (2) 0.0163 (8)
C50 0.8342 (2) 0.36122 (15) 0.9587 (2) 0.0242 (10)
H50 0.8583 0.4271 0.9769 0.029*
C51 0.91314 (17) 0.2995 (2) 0.9748 (2) 0.0306 (11)
H51 0.9911 0.3231 1.0041 0.037*
C52 0.8779 (2) 0.20305 (19) 0.9482 (2) 0.0296 (11)
H52 0.9319 0.1608 0.9592 0.035*
C53 0.7638 (3) 0.16840 (14) 0.9054 (2) 0.0282 (11)
H53 0.7398 0.1025 0.8872 0.034*
C54 0.68492 (18) 0.23016 (18) 0.8892 (2) 0.0226 (9)
H54 0.6069 0.2065 0.8600 0.027*
C55 0.6707 (2) 0.49094 (15) 0.97491 (17) 0.0147 (8)
C56 0.6557 (2) 0.50229 (16) 1.06492 (19) 0.0197 (9)
H56 0.6152 0.4527 1.0748 0.024*
C57 0.7000 (2) 0.58622 (19) 1.14048 (16) 0.0238 (10)
H57 0.6898 0.5940 1.2020 0.029*
C58 0.7593 (2) 0.65881 (16) 1.12602 (18) 0.0233 (9)
H58 0.7896 0.7162 1.1777 0.028*
C59 0.7743 (2) 0.64746 (16) 1.0360 (2) 0.0241 (10)
H59 0.8148 0.6971 1.0261 0.029*
C60 0.7300 (2) 0.56353 (18) 0.96046 (16) 0.0214 (9)
H60 0.7402 0.5558 0.8989 0.026*

Atomic displacement parameters (Å2)

U11 U22 U33 U12 U13 U23
Sn1 0.01146 (13) 0.00818 (13) 0.00688 (13) 0.00179 (9) 0.00281 (10) 0.00295 (9)
Sn2 0.01089 (13) 0.00863 (13) 0.00698 (13) 0.00201 (9) 0.00306 (10) 0.00332 (10)
Sn3 0.01056 (13) 0.00959 (13) 0.00707 (13) 0.00261 (9) 0.00233 (10) 0.00380 (10)
O1 0.0171 (14) 0.0137 (14) 0.0097 (13) 0.0059 (11) 0.0033 (11) 0.0041 (11)
O2 0.0154 (13) 0.0118 (13) 0.0122 (14) 0.0021 (11) 0.0039 (11) 0.0039 (11)
O3 0.0164 (13) 0.0117 (13) 0.0096 (13) 0.0007 (10) 0.0063 (11) 0.0011 (10)
O4 0.0196 (14) 0.0097 (13) 0.0127 (14) 0.0023 (11) 0.0083 (12) 0.0026 (11)
O5 0.0135 (13) 0.0172 (14) 0.0094 (13) 0.0036 (11) 0.0027 (11) 0.0076 (11)
O6 0.0139 (13) 0.0185 (14) 0.0100 (13) 0.0042 (11) 0.0042 (11) 0.0085 (11)
O7 0.0117 (12) 0.0084 (12) 0.0089 (13) 0.0015 (10) 0.0038 (10) 0.0028 (10)
O8 0.0110 (12) 0.0101 (13) 0.0078 (12) 0.0018 (10) 0.0015 (10) 0.0045 (10)
O9 0.0126 (13) 0.0103 (13) 0.0080 (13) 0.0044 (10) 0.0037 (10) 0.0039 (10)
C1 0.0140 (18) 0.0089 (18) 0.0132 (19) 0.0000 (14) 0.0042 (15) −0.0003 (15)
C2 0.018 (2) 0.020 (2) 0.024 (2) 0.0037 (16) 0.0083 (18) 0.0112 (18)
C3 0.021 (2) 0.018 (2) 0.047 (3) 0.0009 (17) 0.011 (2) 0.013 (2)
C4 0.013 (2) 0.027 (3) 0.036 (3) −0.0017 (18) 0.001 (2) 0.001 (2)
C5 0.027 (3) 0.043 (3) 0.018 (2) −0.007 (2) 0.000 (2) 0.001 (2)
C6 0.022 (2) 0.033 (3) 0.016 (2) −0.0050 (19) 0.0012 (18) 0.0092 (19)
C7 0.0144 (18) 0.0158 (19) 0.0081 (18) −0.0014 (15) 0.0024 (15) 0.0032 (15)
C8 0.016 (2) 0.025 (2) 0.023 (2) 0.0041 (17) 0.0072 (18) 0.0052 (18)
C9 0.014 (2) 0.041 (3) 0.026 (2) 0.0023 (19) 0.0073 (19) 0.004 (2)
C10 0.020 (2) 0.040 (3) 0.042 (3) −0.010 (2) 0.013 (2) −0.001 (2)
C11 0.032 (3) 0.018 (2) 0.047 (3) −0.008 (2) 0.016 (2) 0.002 (2)
C12 0.019 (2) 0.019 (2) 0.028 (2) −0.0007 (17) 0.0087 (19) 0.0024 (19)
C13 0.0104 (17) 0.0141 (19) 0.0092 (18) −0.0002 (14) 0.0019 (15) 0.0001 (15)
C14 0.020 (2) 0.019 (2) 0.015 (2) 0.0026 (16) 0.0057 (17) 0.0055 (16)
C15 0.023 (2) 0.027 (2) 0.022 (2) −0.0082 (19) 0.0044 (19) 0.0063 (19)
C16 0.016 (2) 0.030 (3) 0.029 (3) −0.0046 (18) 0.0028 (19) 0.007 (2)
C17 0.019 (2) 0.031 (3) 0.023 (2) 0.0042 (18) −0.0002 (19) 0.009 (2)
C18 0.016 (2) 0.021 (2) 0.018 (2) 0.0036 (16) 0.0019 (17) 0.0083 (17)
C19 0.0186 (19) 0.0099 (18) 0.0139 (19) 0.0043 (15) 0.0100 (16) 0.0057 (15)
C20 0.019 (2) 0.0084 (18) 0.0128 (19) 0.0036 (14) 0.0042 (16) 0.0045 (15)
C21 0.021 (2) 0.0121 (18) 0.017 (2) 0.0066 (15) 0.0079 (17) 0.0109 (16)
C22 0.022 (2) 0.020 (2) 0.019 (2) 0.0054 (17) 0.0058 (18) 0.0083 (17)
C23 0.022 (2) 0.030 (3) 0.025 (2) 0.0009 (19) 0.0019 (19) 0.013 (2)
C24 0.018 (2) 0.033 (3) 0.039 (3) 0.0088 (19) 0.012 (2) 0.023 (2)
C25 0.031 (2) 0.029 (2) 0.036 (3) 0.018 (2) 0.025 (2) 0.018 (2)
C26 0.028 (2) 0.022 (2) 0.018 (2) 0.0093 (18) 0.0118 (19) 0.0110 (18)
C27 0.021 (2) 0.0121 (19) 0.0077 (18) 0.0009 (15) 0.0019 (16) 0.0023 (15)
C28 0.024 (2) 0.020 (2) 0.019 (2) 0.0044 (17) 0.0095 (18) 0.0122 (17)
C29 0.025 (2) 0.025 (2) 0.025 (2) 0.0061 (18) 0.013 (2) 0.0077 (19)
C30 0.032 (2) 0.026 (2) 0.019 (2) −0.0058 (19) 0.013 (2) 0.0078 (19)
C31 0.034 (3) 0.014 (2) 0.018 (2) −0.0019 (18) 0.0069 (19) 0.0075 (17)
C32 0.027 (2) 0.0126 (19) 0.016 (2) 0.0045 (16) 0.0068 (18) 0.0035 (16)
C33 0.0087 (17) 0.0133 (18) 0.0081 (17) 0.0033 (14) −0.0006 (14) 0.0039 (14)
C34 0.0191 (19) 0.0112 (18) 0.0121 (19) 0.0032 (15) 0.0090 (16) 0.0038 (15)
C35 0.021 (2) 0.0142 (19) 0.0115 (19) 0.0063 (16) 0.0082 (16) 0.0026 (15)
C36 0.030 (2) 0.023 (2) 0.019 (2) −0.0032 (18) 0.0095 (19) 0.0062 (18)
C37 0.038 (3) 0.020 (2) 0.031 (3) −0.007 (2) 0.016 (2) −0.001 (2)
C38 0.026 (2) 0.026 (3) 0.030 (3) −0.004 (2) 0.004 (2) −0.006 (2)
C39 0.029 (3) 0.029 (3) 0.024 (3) 0.003 (2) −0.002 (2) 0.000 (2)
C40 0.029 (2) 0.019 (2) 0.022 (2) 0.0017 (18) 0.004 (2) 0.0071 (18)
C41 0.0173 (19) 0.0116 (18) 0.0108 (19) 0.0031 (15) 0.0044 (16) 0.0017 (15)
C42 0.029 (2) 0.029 (2) 0.021 (2) 0.0147 (19) 0.0125 (19) 0.0161 (19)
C43 0.031 (3) 0.031 (3) 0.028 (3) 0.011 (2) 0.010 (2) 0.017 (2)
C44 0.020 (2) 0.022 (2) 0.034 (3) 0.0067 (18) 0.004 (2) 0.008 (2)
C45 0.015 (2) 0.023 (2) 0.031 (3) −0.0003 (17) 0.0101 (19) 0.0030 (19)
C46 0.022 (2) 0.017 (2) 0.021 (2) 0.0020 (17) 0.0113 (18) 0.0029 (17)
C47 0.0169 (19) 0.0115 (18) 0.0088 (18) 0.0006 (14) 0.0034 (15) 0.0036 (14)
C48 0.0181 (19) 0.017 (2) 0.0113 (19) 0.0032 (15) 0.0059 (16) 0.0084 (16)
C49 0.020 (2) 0.022 (2) 0.0089 (18) 0.0070 (16) 0.0044 (16) 0.0078 (16)
C50 0.023 (2) 0.023 (2) 0.025 (2) 0.0062 (18) 0.0064 (19) 0.0068 (19)
C51 0.022 (2) 0.037 (3) 0.029 (3) 0.011 (2) 0.004 (2) 0.009 (2)
C52 0.036 (3) 0.037 (3) 0.022 (2) 0.022 (2) 0.012 (2) 0.015 (2)
C53 0.049 (3) 0.019 (2) 0.021 (2) 0.007 (2) 0.015 (2) 0.0088 (19)
C54 0.031 (2) 0.020 (2) 0.014 (2) 0.0013 (18) 0.0056 (18) 0.0063 (17)
C55 0.0140 (19) 0.018 (2) 0.0118 (19) 0.0049 (15) 0.0035 (15) 0.0062 (16)
C56 0.023 (2) 0.023 (2) 0.017 (2) 0.0051 (17) 0.0092 (18) 0.0099 (17)
C57 0.026 (2) 0.034 (3) 0.012 (2) 0.0097 (19) 0.0071 (18) 0.0056 (18)
C58 0.023 (2) 0.022 (2) 0.017 (2) 0.0037 (17) 0.0023 (18) −0.0001 (18)
C59 0.025 (2) 0.022 (2) 0.023 (2) −0.0017 (18) 0.0083 (19) 0.0046 (19)
C60 0.029 (2) 0.021 (2) 0.016 (2) 0.0020 (18) 0.0095 (18) 0.0069 (17)

Geometric parameters (Å, °)

Sn1—O9i 2.070 (3) C23—H23 0.9500
Sn1—O8 2.082 (3) C24—C25 1.3900
Sn1—O7 2.094 (3) C24—H24 0.9500
Sn1—O3 2.153 (3) C25—C26 1.3900
Sn1—O1 2.170 (3) C25—H25 0.9500
Sn1—C1 2.1336 (18) C26—H26 0.9500
Sn2—O7 2.072 (3) C27—C28 1.3900
Sn2—O9 2.088 (3) C27—C32 1.3900
Sn2—O8 2.089 (3) C28—C29 1.3900
Sn2—O4 2.163 (3) C28—H28 0.9500
Sn2—O5 2.171 (3) C29—C30 1.3900
Sn2—C7 2.1250 (18) C29—H29 0.9500
Sn3—O7i 2.073 (3) C30—C31 1.3900
Sn3—O8 2.076 (3) C30—H30 0.9500
Sn3—O9 2.125 (3) C31—C32 1.3900
Sn3—O2i 2.148 (3) C31—H31 0.9500
Sn3—O6 2.158 (3) C32—H32 0.9500
Sn3—C13 2.1181 (18) C33—C34 1.523 (5)
O1—C19 1.267 (5) C34—C35 1.531 (4)
O2—C19 1.255 (5) C34—C41 1.535 (4)
O2—Sn3i 2.148 (3) C34—H34 1.0000
O3—C33 1.252 (5) C35—C36 1.3900
O4—C33 1.266 (4) C35—C40 1.3900
O5—C47 1.261 (5) C36—C37 1.3900
O6—C47 1.257 (5) C36—H36 0.9500
O7—Sn3i 2.073 (3) C37—C38 1.3900
O9—Sn1i 2.070 (3) C37—H37 0.9500
C1—C2 1.3900 C38—C39 1.3900
C1—C6 1.3900 C38—H38 0.9500
C2—C3 1.3900 C39—C40 1.3900
C2—H2 0.9500 C39—H39 0.9500
C3—C4 1.3900 C40—H40 0.9500
C3—H3 0.9500 C41—C42 1.3900
C4—C5 1.3900 C41—C46 1.3900
C4—H4 0.9500 C42—C43 1.3900
C5—C6 1.3900 C42—H42 0.9500
C5—H5 0.9500 C43—C44 1.3900
C6—H6 0.9500 C43—H43 0.9500
C7—C8 1.3900 C44—C45 1.3900
C7—C12 1.3900 C44—H44 0.9500
C8—C9 1.3900 C45—C46 1.3900
C8—H8 0.9500 C45—H45 0.9500
C9—C10 1.3900 C46—H46 0.9500
C9—H9 0.9500 C47—C48 1.532 (5)
C10—C11 1.3900 C48—C49 1.538 (4)
C10—H10 0.9500 C48—C55 1.543 (4)
C11—C12 1.3900 C48—H48 1.0000
C11—H11 0.9500 C49—C50 1.3900
C12—H12 0.9500 C49—C54 1.3900
C13—C14 1.3900 C50—C51 1.3900
C13—C18 1.3900 C50—H50 0.9500
C14—C15 1.3900 C51—C52 1.3900
C14—H14 0.9500 C51—H51 0.9500
C15—C16 1.3900 C52—C53 1.3900
C15—H15 0.9500 C52—H52 0.9500
C16—C17 1.3900 C53—C54 1.3900
C16—H16 0.9500 C53—H53 0.9500
C17—C18 1.3900 C54—H54 0.9500
C17—H17 0.9500 C55—C56 1.3900
C18—H18 0.9500 C55—C60 1.3900
C19—C20 1.522 (5) C56—C57 1.3900
C20—C21 1.524 (4) C56—H56 0.9500
C20—C27 1.554 (4) C57—C58 1.3900
C20—H20 1.0000 C57—H57 0.9500
C21—C22 1.3900 C58—C59 1.3900
C21—C26 1.3900 C58—H58 0.9500
C22—C23 1.3900 C59—C60 1.3900
C22—H22 0.9500 C59—H59 0.9500
C23—C24 1.3900 C60—H60 0.9500
O9i—Sn1—O8 104.81 (10) C17—C18—H18 120.0
O9i—Sn1—O7 78.30 (10) C13—C18—H18 120.0
O8—Sn1—O7 77.31 (10) O2—C19—O1 125.2 (4)
O9i—Sn1—C1 110.39 (10) O2—C19—C20 118.3 (3)
O8—Sn1—C1 98.50 (10) O1—C19—C20 116.5 (3)
O7—Sn1—C1 171.19 (10) C19—C20—C21 113.3 (3)
O9i—Sn1—O3 155.57 (10) C19—C20—C27 109.1 (3)
O8—Sn1—O3 88.52 (10) C21—C20—C27 112.9 (3)
O7—Sn1—O3 84.99 (10) C19—C20—H20 107.1
C1—Sn1—O3 87.17 (10) C21—C20—H20 107.1
O9i—Sn1—O1 84.06 (10) C27—C20—H20 107.1
O8—Sn1—O1 163.51 (10) C22—C21—C26 120.0
O7—Sn1—O1 91.25 (10) C22—C21—C20 121.4 (2)
C1—Sn1—O1 91.14 (10) C26—C21—C20 118.6 (2)
O3—Sn1—O1 78.56 (10) C23—C22—C21 120.0
O9i—Sn1—Sn3i 40.85 (7) C23—C22—H22 120.0
O8—Sn1—Sn3i 100.18 (7) C21—C22—H22 120.0
O7—Sn1—Sn3i 39.51 (7) C24—C23—C22 120.0
C1—Sn1—Sn3i 149.24 (7) C24—C23—H23 120.0
O3—Sn1—Sn3i 117.45 (7) C22—C23—H23 120.0
O1—Sn1—Sn3i 77.25 (7) C23—C24—C25 120.0
O9i—Sn1—Sn2 100.89 (7) C23—C24—H24 120.0
O8—Sn1—Sn2 39.88 (7) C25—C24—H24 120.0
O7—Sn1—Sn2 39.46 (7) C26—C25—C24 120.0
C1—Sn1—Sn2 134.14 (7) C26—C25—H25 120.0
O3—Sn1—Sn2 76.13 (7) C24—C25—H25 120.0
O1—Sn1—Sn2 125.52 (7) C25—C26—C21 120.0
Sn3i—Sn1—Sn2 73.199 (8) C25—C26—H26 120.0
O7—Sn2—O9 101.76 (10) C21—C26—H26 120.0
O7—Sn2—O8 77.64 (10) C28—C27—C32 120.0
O9—Sn2—O8 78.04 (10) C28—C27—C20 123.3 (2)
O7—Sn2—C7 104.87 (10) C32—C27—C20 116.6 (2)
O9—Sn2—C7 100.46 (10) C29—C28—C27 120.0
O8—Sn2—C7 177.34 (10) C29—C28—H28 120.0
O7—Sn2—O4 87.45 (10) C27—C28—H28 120.0
O9—Sn2—O4 162.12 (10) C28—C29—C30 120.0
O8—Sn2—O4 89.21 (10) C28—C29—H29 120.0
C7—Sn2—O4 91.78 (10) C30—C29—H29 120.0
O7—Sn2—O5 159.26 (10) C31—C30—C29 120.0
O9—Sn2—O5 87.69 (10) C31—C30—H30 120.0
O8—Sn2—O5 86.49 (10) C29—C30—H30 120.0
C7—Sn2—O5 91.27 (10) C32—C31—C30 120.0
O4—Sn2—O5 78.98 (10) C32—C31—H31 120.0
O7i—Sn3—O8 104.46 (10) C30—C31—H31 120.0
O7i—Sn3—C13 102.46 (10) C31—C32—C27 120.0
O8—Sn3—C13 102.73 (10) C31—C32—H32 120.0
O7i—Sn3—O9 77.53 (10) C27—C32—H32 120.0
O8—Sn3—O9 77.49 (10) O3—C33—O4 125.9 (4)
C13—Sn3—O9 179.77 (11) O3—C33—C34 117.2 (3)
O7i—Sn3—O2i 88.73 (10) O4—C33—C34 116.9 (3)
O8—Sn3—O2i 155.77 (10) C33—C34—C35 111.4 (3)
C13—Sn3—O2i 93.90 (10) C33—C34—C41 110.1 (3)
O9—Sn3—O2i 85.87 (10) C35—C34—C41 112.7 (3)
O7i—Sn3—O6 160.60 (10) C33—C34—H34 107.5
O8—Sn3—O6 85.71 (10) C35—C34—H34 107.5
C13—Sn3—O6 91.05 (10) C41—C34—H34 107.5
O9—Sn3—O6 88.91 (10) C36—C35—C40 120.0
O2i—Sn3—O6 76.39 (10) C36—C35—C34 121.4 (2)
O7i—Sn3—Sn1i 39.98 (7) C40—C35—C34 118.6 (2)
O8—Sn3—Sn1i 100.15 (7) C37—C36—C35 120.0
C13—Sn3—Sn1i 140.36 (7) C37—C36—H36 120.0
O9—Sn3—Sn1i 39.57 (7) C35—C36—H36 120.0
O2i—Sn3—Sn1i 76.81 (7) C36—C37—C38 120.0
O6—Sn3—Sn1i 122.72 (7) C36—C37—H37 120.0
O7i—Sn3—Sn2 99.93 (7) C38—C37—H37 120.0
O8—Sn3—Sn2 39.57 (7) C39—C38—C37 120.0
C13—Sn3—Sn2 140.41 (8) C39—C38—H38 120.0
O9—Sn3—Sn2 39.79 (7) C37—C38—H38 120.0
O2i—Sn3—Sn2 118.92 (7) C40—C39—C38 120.0
O6—Sn3—Sn2 77.22 (7) C40—C39—H39 120.0
Sn1i—Sn3—Sn2 73.224 (8) C38—C39—H39 120.0
C19—O1—Sn1 128.6 (2) C39—C40—C35 120.0
C19—O2—Sn3i 129.8 (3) C39—C40—H40 120.0
C33—O3—Sn1 131.7 (2) C35—C40—H40 120.0
C33—O4—Sn2 128.0 (2) C42—C41—C46 120.0
C47—O5—Sn2 129.2 (2) C42—C41—C34 123.3 (2)
C47—O6—Sn3 129.6 (3) C46—C41—C34 116.7 (2)
Sn2—O7—Sn3i 134.38 (13) C41—C42—C43 120.0
Sn2—O7—Sn1 100.58 (11) C41—C42—H42 120.0
Sn3i—O7—Sn1 100.51 (11) C43—C42—H42 120.0
Sn3—O8—Sn1 130.74 (13) C42—C43—C44 120.0
Sn3—O8—Sn2 101.15 (11) C42—C43—H43 120.0
Sn1—O8—Sn2 100.40 (11) C44—C43—H43 120.0
Sn1i—O9—Sn2 134.17 (13) C45—C44—C43 120.0
Sn1i—O9—Sn3 99.58 (10) C45—C44—H44 120.0
Sn2—O9—Sn3 99.57 (11) C43—C44—H44 120.0
C2—C1—C6 120.0 C44—C45—C46 120.0
C2—C1—Sn1 123.29 (14) C44—C45—H45 120.0
C6—C1—Sn1 115.69 (13) C46—C45—H45 120.0
C1—C2—C3 120.0 C45—C46—C41 120.0
C1—C2—H2 120.0 C45—C46—H46 120.0
C3—C2—H2 120.0 C41—C46—H46 120.0
C4—C3—C2 120.0 O6—C47—O5 126.3 (4)
C4—C3—H3 120.0 O6—C47—C48 116.8 (3)
C2—C3—H3 120.0 O5—C47—C48 116.9 (3)
C3—C4—C5 120.0 C47—C48—C49 112.2 (3)
C3—C4—H4 120.0 C47—C48—C55 108.7 (3)
C5—C4—H4 120.0 C49—C48—C55 113.2 (3)
C4—C5—C6 120.0 C47—C48—H48 107.5
C4—C5—H5 120.0 C49—C48—H48 107.5
C6—C5—H5 120.0 C55—C48—H48 107.5
C5—C6—C1 120.0 C50—C49—C54 120.0
C5—C6—H6 120.0 C50—C49—C48 121.2 (2)
C1—C6—H6 120.0 C54—C49—C48 118.8 (2)
C8—C7—C12 120.0 C49—C50—C51 120.0
C8—C7—Sn2 121.10 (14) C49—C50—H50 120.0
C12—C7—Sn2 118.76 (13) C51—C50—H50 120.0
C7—C8—C9 120.0 C52—C51—C50 120.0
C7—C8—H8 120.0 C52—C51—H51 120.0
C9—C8—H8 120.0 C50—C51—H51 120.0
C8—C9—C10 120.0 C51—C52—C53 120.0
C8—C9—H9 120.0 C51—C52—H52 120.0
C10—C9—H9 120.0 C53—C52—H52 120.0
C9—C10—C11 120.0 C54—C53—C52 120.0
C9—C10—H10 120.0 C54—C53—H53 120.0
C11—C10—H10 120.0 C52—C53—H53 120.0
C12—C11—C10 120.0 C53—C54—C49 120.0
C12—C11—H11 120.0 C53—C54—H54 120.0
C10—C11—H11 120.0 C49—C54—H54 120.0
C11—C12—C7 120.0 C56—C55—C60 120.0
C11—C12—H12 120.0 C56—C55—C48 118.2 (2)
C7—C12—H12 120.0 C60—C55—C48 121.5 (2)
C14—C13—C18 120.0 C55—C56—C57 120.0
C14—C13—Sn3 120.39 (13) C55—C56—H56 120.0
C18—C13—Sn3 119.59 (13) C57—C56—H56 120.0
C13—C14—C15 120.0 C58—C57—C56 120.0
C13—C14—H14 120.0 C58—C57—H57 120.0
C15—C14—H14 120.0 C56—C57—H57 120.0
C16—C15—C14 120.0 C57—C58—C59 120.0
C16—C15—H15 120.0 C57—C58—H58 120.0
C14—C15—H15 120.0 C59—C58—H58 120.0
C15—C16—C17 120.0 C60—C59—C58 120.0
C15—C16—H16 120.0 C60—C59—H59 120.0
C17—C16—H16 120.0 C58—C59—H59 120.0
C18—C17—C16 120.0 C59—C60—C55 120.0
C18—C17—H17 120.0 C59—C60—H60 120.0
C16—C17—H17 120.0 C55—C60—H60 120.0
C17—C18—C13 120.0
O9i—Sn1—O1—C19 38.1 (3) C9—C10—C11—C12 0.0
O8—Sn1—O1—C19 −85.5 (5) C10—C11—C12—C7 0.0
O7—Sn1—O1—C19 −40.0 (3) C8—C7—C12—C11 0.0
C1—Sn1—O1—C19 148.5 (3) Sn2—C7—C12—C11 175.7 (2)
O3—Sn1—O1—C19 −124.6 (3) O7i—Sn3—C13—C14 48.36 (17)
Sn3i—Sn1—O1—C19 −2.8 (3) O8—Sn3—C13—C14 −59.83 (17)
Sn2—Sn1—O1—C19 −61.0 (3) O2i—Sn3—C13—C14 137.91 (16)
O9i—Sn1—O3—C33 85.9 (4) O6—Sn3—C13—C14 −145.66 (16)
O8—Sn1—O3—C33 −38.3 (3) Sn1i—Sn3—C13—C14 63.94 (19)
O7—Sn1—O3—C33 39.1 (3) Sn2—Sn3—C13—C14 −74.62 (18)
C1—Sn1—O3—C33 −136.9 (3) O7i—Sn3—C13—C18 −130.11 (16)
O1—Sn1—O3—C33 131.4 (3) O8—Sn3—C13—C18 121.71 (16)
O7—Sn2—O4—C33 −35.7 (3) O2i—Sn3—C13—C18 −40.55 (16)
O9—Sn2—O4—C33 86.0 (4) O6—Sn3—C13—C18 35.87 (16)
O8—Sn2—O4—C33 41.9 (3) Sn1i—Sn3—C13—C18 −114.53 (14)
C7—Sn2—O4—C33 −140.5 (3) Sn2—Sn3—C13—C18 106.92 (15)
O5—Sn2—O4—C33 128.5 (3) C18—C13—C14—C15 0.0
O7—Sn2—O5—C47 −70.5 (4) Sn3—C13—C14—C15 −178.5 (2)
O9—Sn2—O5—C47 47.5 (3) C13—C14—C15—C16 0.0
O8—Sn2—O5—C47 −30.7 (3) C14—C15—C16—C17 0.0
C7—Sn2—O5—C47 147.9 (3) C15—C16—C17—C18 0.0
O4—Sn2—O5—C47 −120.5 (3) C16—C17—C18—C13 0.0
O7i—Sn3—O6—C47 −86.2 (4) C14—C13—C18—C17 0.0
O8—Sn3—O6—C47 36.5 (3) Sn3—C13—C18—C17 178.47 (19)
C13—Sn3—O6—C47 139.2 (3) Sn3i—O2—C19—O1 −21.4 (6)
O9—Sn3—O6—C47 −41.0 (3) Sn3i—O2—C19—C20 156.3 (3)
O2i—Sn3—O6—C47 −127.0 (3) Sn1—O1—C19—O2 14.0 (6)
O9—Sn2—O7—Sn3i 26.1 (2) Sn1—O1—C19—C20 −163.7 (2)
O8—Sn2—O7—Sn3i 100.93 (18) O2—C19—C20—C21 41.0 (5)
C7—Sn2—O7—Sn3i −78.16 (18) O1—C19—C20—C21 −141.1 (3)
O4—Sn2—O7—Sn3i −169.33 (18) O2—C19—C20—C27 −85.6 (4)
O5—Sn2—O7—Sn3i 141.8 (2) O1—C19—C20—C27 92.2 (4)
O9—Sn2—O7—Sn1 −90.12 (11) C19—C20—C21—C22 −63.7 (4)
O8—Sn2—O7—Sn1 −15.33 (10) C27—C20—C21—C22 60.9 (3)
C7—Sn2—O7—Sn1 165.57 (10) C19—C20—C21—C26 116.3 (3)
O4—Sn2—O7—Sn1 74.41 (11) C27—C20—C21—C26 −119.0 (3)
O5—Sn2—O7—Sn1 25.6 (3) C26—C21—C22—C23 0.0
O9i—Sn1—O7—Sn2 123.71 (12) C20—C21—C22—C23 −179.9 (3)
O8—Sn1—O7—Sn2 15.40 (10) C21—C22—C23—C24 0.0
O3—Sn1—O7—Sn2 −74.21 (11) C22—C23—C24—C25 0.0
O1—Sn1—O7—Sn2 −152.62 (11) C23—C24—C25—C26 0.0
O9i—Sn1—O7—Sn3i −15.61 (10) C24—C25—C26—C21 0.0
O8—Sn1—O7—Sn3i −123.92 (12) C22—C21—C26—C25 0.0
O3—Sn1—O7—Sn3i 146.47 (11) C20—C21—C26—C25 179.9 (3)
O1—Sn1—O7—Sn3i 68.07 (11) C19—C20—C27—C28 −11.7 (4)
O7i—Sn3—O8—Sn1 −26.24 (19) C21—C20—C27—C28 −138.6 (2)
C13—Sn3—O8—Sn1 80.43 (17) C19—C20—C27—C32 171.7 (2)
O9—Sn3—O8—Sn1 −99.64 (17) C21—C20—C27—C32 44.8 (3)
O2i—Sn3—O8—Sn1 −147.4 (2) C32—C27—C28—C29 0.0
O6—Sn3—O8—Sn1 170.53 (17) C20—C27—C28—C29 −176.5 (3)
O7i—Sn3—O8—Sn2 88.14 (11) C27—C28—C29—C30 0.0
C13—Sn3—O8—Sn2 −165.20 (10) C28—C29—C30—C31 0.0
O9—Sn3—O8—Sn2 14.74 (10) C29—C30—C31—C32 0.0
O2i—Sn3—O8—Sn2 −33.0 (3) C30—C31—C32—C27 0.0
O6—Sn3—O8—Sn2 −75.09 (11) C28—C27—C32—C31 0.0
O9i—Sn1—O8—Sn3 25.36 (19) C20—C27—C32—C31 176.8 (3)
O7—Sn1—O8—Sn3 99.42 (17) Sn1—O3—C33—O4 2.6 (6)
C1—Sn1—O8—Sn3 −88.47 (17) Sn1—O3—C33—C34 −176.8 (2)
O3—Sn1—O8—Sn3 −175.38 (17) Sn2—O4—C33—O3 −4.8 (5)
O1—Sn1—O8—Sn3 146.4 (3) Sn2—O4—C33—C34 174.6 (2)
O9i—Sn1—O8—Sn2 −89.33 (11) O3—C33—C34—C35 −46.6 (4)
O7—Sn1—O8—Sn2 −15.27 (10) O4—C33—C34—C35 133.9 (3)
C1—Sn1—O8—Sn2 156.85 (11) O3—C33—C34—C41 79.2 (4)
O3—Sn1—O8—Sn2 69.93 (11) O4—C33—C34—C41 −100.3 (4)
O1—Sn1—O8—Sn2 31.7 (4) C33—C34—C35—C36 81.7 (3)
O7—Sn2—O8—Sn3 −120.03 (12) C41—C34—C35—C36 −42.7 (4)
O9—Sn2—O8—Sn3 −14.98 (10) C33—C34—C35—C40 −98.8 (3)
O4—Sn2—O8—Sn3 152.40 (11) C41—C34—C35—C40 136.9 (2)
O5—Sn2—O8—Sn3 73.40 (11) C40—C35—C36—C37 0.0
O7—Sn2—O8—Sn1 15.41 (10) C34—C35—C36—C37 179.6 (3)
O9—Sn2—O8—Sn1 120.47 (12) C35—C36—C37—C38 0.0
O4—Sn2—O8—Sn1 −72.15 (11) C36—C37—C38—C39 0.0
O5—Sn2—O8—Sn1 −151.16 (12) C37—C38—C39—C40 0.0
O7—Sn2—O9—Sn1i −24.5 (2) C38—C39—C40—C35 0.0
O8—Sn2—O9—Sn1i −98.97 (18) C36—C35—C40—C39 0.0
C7—Sn2—O9—Sn1i 83.26 (18) C34—C35—C40—C39 −179.6 (3)
O4—Sn2—O9—Sn1i −144.3 (3) C33—C34—C41—C42 −36.9 (4)
O5—Sn2—O9—Sn1i 174.13 (18) C35—C34—C41—C42 88.1 (3)
O7—Sn2—O9—Sn3 89.02 (11) C33—C34—C41—C46 144.5 (3)
O8—Sn2—O9—Sn3 14.54 (10) C35—C34—C41—C46 −90.5 (3)
C7—Sn2—O9—Sn3 −163.23 (10) C46—C41—C42—C43 0.0
O4—Sn2—O9—Sn3 −30.8 (4) C34—C41—C42—C43 −178.6 (3)
O5—Sn2—O9—Sn3 −72.36 (11) C41—C42—C43—C44 0.0
O7i—Sn3—O9—Sn1i 15.37 (10) C42—C43—C44—C45 0.0
O8—Sn3—O9—Sn1i 123.49 (11) C43—C44—C45—C46 0.0
O2i—Sn3—O9—Sn1i −74.24 (11) C44—C45—C46—C41 0.0
O6—Sn3—O9—Sn1i −150.67 (11) C42—C41—C46—C45 0.0
O7i—Sn3—O9—Sn2 −122.79 (11) C34—C41—C46—C45 178.7 (3)
O8—Sn3—O9—Sn2 −14.67 (10) Sn3—O6—C47—O5 9.6 (6)
O2i—Sn3—O9—Sn2 147.60 (11) Sn3—O6—C47—C48 −168.4 (2)
O6—Sn3—O9—Sn2 71.17 (11) Sn2—O5—C47—O6 −13.1 (6)
Sn1i—Sn3—O9—Sn2 −138.16 (15) Sn2—O5—C47—C48 165.0 (2)
O9i—Sn1—C1—C2 38.31 (19) O6—C47—C48—C49 −29.8 (5)
O8—Sn1—C1—C2 147.65 (17) O5—C47—C48—C49 151.9 (3)
O3—Sn1—C1—C2 −124.27 (17) O6—C47—C48—C55 96.2 (4)
O1—Sn1—C1—C2 −45.78 (17) O5—C47—C48—C55 −82.1 (4)
O9i—Sn1—C1—C6 −153.31 (15) C47—C48—C49—C50 93.4 (3)
O8—Sn1—C1—C6 −43.97 (16) C55—C48—C49—C50 −30.1 (4)
O3—Sn1—C1—C6 44.12 (15) C47—C48—C49—C54 −87.0 (3)
O1—Sn1—C1—C6 122.61 (15) C55—C48—C49—C54 149.5 (2)
C6—C1—C2—C3 0.0 C54—C49—C50—C51 0.0
Sn1—C1—C2—C3 167.9 (2) C48—C49—C50—C51 179.6 (3)
C1—C2—C3—C4 0.0 C49—C50—C51—C52 0.0
C2—C3—C4—C5 0.0 C50—C51—C52—C53 0.0
C3—C4—C5—C6 0.0 C51—C52—C53—C54 0.0
C4—C5—C6—C1 0.0 C52—C53—C54—C49 0.0
C2—C1—C6—C5 0.0 C50—C49—C54—C53 0.0
Sn1—C1—C6—C5 −168.79 (19) C48—C49—C54—C53 −179.6 (3)
O7—Sn2—C7—C8 −46.94 (18) C47—C48—C55—C56 147.7 (2)
O9—Sn2—C7—C8 −152.21 (16) C49—C48—C55—C56 −87.0 (3)
O4—Sn2—C7—C8 40.90 (17) C47—C48—C55—C60 −38.7 (4)
O5—Sn2—C7—C8 119.91 (17) C49—C48—C55—C60 86.7 (3)
O7—Sn2—C7—C12 137.38 (16) C60—C55—C56—C57 0.0
O9—Sn2—C7—C12 32.10 (17) C48—C55—C56—C57 173.8 (3)
O4—Sn2—C7—C12 −134.79 (17) C55—C56—C57—C58 0.0
O5—Sn2—C7—C12 −55.78 (17) C56—C57—C58—C59 0.0
C12—C7—C8—C9 0.0 C57—C58—C59—C60 0.0
Sn2—C7—C8—C9 −175.6 (2) C58—C59—C60—C55 0.0
C7—C8—C9—C10 0.0 C56—C55—C60—C59 0.0
C8—C9—C10—C11 0.0 C48—C55—C60—C59 −173.5 (3)

Symmetry codes: (i) −x+1, −y+1, −z+1.

Footnotes

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HB2814).

References

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Associated Data

This section collects any data citations, data availability statements, or supplementary materials included in this article.

Supplementary Materials

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536808038567/hb2814sup1.cif

e-64-m1614-sup1.cif (41.3KB, cif)

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808038567/hb2814Isup2.hkl

e-64-m1614-Isup2.hkl (558.1KB, hkl)

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


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