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The centrosymmetric title compound, [Sn4(C4H9)8(C11H11O3)4O2], contains a planar Sn2O2 core with the O atoms bonded to two dibutyl­bis[3-(4-methyl­benzo­yl)­propionato]tin units. The exocyclic Sn atom is five-coordinate with a distorted C2SnO3 trigonal–bipyramidal geometry and the endocyclic Sn atom is six-coordinate with a C2SnO4 skew-trapezoidal bipyramidal geometry.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806047465/bi2090sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806047465/bi2090Isup2.hkl
Contains datablock I

CCDC reference: 629440

Key indicators

  • Single-crystal X-ray study
  • T = 295 K
  • Mean [sigma](C-C) = 0.009 Å
  • Disorder in main residue
  • R factor = 0.037
  • wR factor = 0.110
  • Data-to-parameter ratio = 17.8

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.63 Ratio PLAT413_ALERT_2_B Short Inter XH3 .. XHn H12A .. H8F .. 2.09 Ang.
Alert level C PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.87 Ratio PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C14 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Sn1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Sn2 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C3 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C3' PLAT301_ALERT_3_C Main Residue Disorder ......................... 8.00 Perc. PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 9
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 8 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 7 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: SHELXL97.

Tetrakis[µ-3-(4-methylbenzoyl)propionato]-κ4O:O';κ4O:O-di-µ3-oxo- tetrakis[dibutyltin(IV)] top
Crystal data top
[Sn4(C4H9)8(C11H11O3)4O2]Z = 1
Mr = 1728.45F(000) = 884
Triclinic, P1Dx = 1.411 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 12.0914 (15) ÅCell parameters from 3126 reflections
b = 12.2993 (16) Åθ = 2.9–25.0°
c = 15.0996 (19) ŵ = 1.27 mm1
α = 70.392 (2)°T = 295 K
β = 87.612 (2)°Block, colourless
γ = 74.361 (2)°0.33 × 0.18 × 0.14 mm
V = 2034.1 (4) Å3
Data collection top
Bruker SMART APEX CCD
diffractometer
7849 independent reflections
Radiation source: fine-focus sealed tube6090 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.013
φ and ω scansθmax = 26.0°, θmin = 1.8°
Absorption correction: multi-scan
(SADABS; Bruker, 2002)
h = 1214
Tmin = 0.679, Tmax = 0.842k = 1115
11699 measured reflectionsl = 1817
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.037Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.110H-atom parameters constrained
S = 1.03 w = 1/[σ2(Fo2) + (0.0605P)2 + 0.6267P]
where P = (Fo2 + 2Fc2)/3
7849 reflections(Δ/σ)max = 0.001
440 parametersΔρmax = 0.96 e Å3
28 restraintsΔρmin = 0.49 e Å3
Special details top

Experimental. IR (KBr, disc): ν(C=O) 1684, νas(COO) 1643, 1572, νs(COO) 1404, 1382, ν(Sn—O—Sn) 644 cm-1; 1H NMR (500 MHz, CDCl3, TMS as reference): δ 0.87 (12H, t, 4CH3), 0.91 (12H, t, 4CH3), 1.29–1.64 (48H, m, 8CH2CH2CH2Sn), 2.39 (12H, s, 4CH3Ar), 2.60 (8H, t, 4CH2CO2), 3.21 (8H, t, 4COCH2), 7.24 (8H, d) and 7.87 (8H, d) (Ar—H).

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s 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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Sn10.53740 (2)0.46719 (2)0.112678 (17)0.05792 (10)
Sn20.24731 (2)0.45949 (3)0.068993 (19)0.07097 (11)
O10.3972 (2)0.4899 (2)0.01755 (16)0.0605 (6)
O20.3354 (2)0.4504 (3)0.19373 (19)0.0797 (8)
O30.1724 (3)0.4486 (3)0.2646 (2)0.0884 (9)
O40.2732 (4)0.1969 (3)0.4304 (3)0.1175 (13)
O50.7159 (2)0.4393 (3)0.17693 (19)0.0770 (8)
O60.8080 (3)0.5504 (3)0.0691 (2)0.0989 (11)
O70.6976 (3)0.5409 (3)0.3574 (2)0.0991 (10)
C10.4824 (4)0.6249 (4)0.1488 (4)0.0882 (14)
H1A0.39970.65530.13670.106*
H1B0.49760.60270.21600.106*
C20.5336 (7)0.7236 (5)0.1007 (6)0.148 (3)
H2A0.50600.75760.03520.178*
H2B0.61640.69140.10260.178*
C30.5064 (13)0.8253 (9)0.1440 (10)0.182 (6)0.741 (14)
H3A0.51060.79160.21210.218*0.741 (14)
H3B0.56170.87210.12520.218*0.741 (14)
C40.3887 (14)0.9025 (15)0.1091 (14)0.258 (10)0.741 (14)
H4A0.37020.96710.13420.387*0.741 (14)
H4B0.33450.85580.12910.387*0.741 (14)
H4C0.38530.93470.04160.387*0.741 (14)
C3'0.464 (3)0.8491 (12)0.096 (2)0.182 (6)0.259 (14)
H3C0.50640.90670.06330.218*0.259 (14)
H3D0.39170.87060.06060.218*0.259 (14)
C4'0.443 (6)0.852 (4)0.194 (3)0.258 (10)0.259 (14)
H4D0.39710.93040.19080.387*0.259 (14)
H4E0.51460.83340.22750.387*0.259 (14)
H4F0.40210.79380.22590.387*0.259 (14)
C50.5718 (4)0.2795 (4)0.1786 (3)0.0830 (13)
H5A0.57720.26180.24610.100*
H5B0.50620.25530.16480.100*
C60.6776 (5)0.2033 (5)0.1522 (6)0.138 (3)
H6A0.74300.20420.18670.166*
H6B0.68750.24070.08580.166*
C70.6817 (15)0.0730 (8)0.1692 (10)0.162 (5)0.574 (9)
H7A0.60480.06520.16370.195*0.574 (9)
H7B0.72810.04440.12340.195*0.574 (9)
C80.7332 (18)0.0031 (13)0.2655 (9)0.183 (6)0.574 (9)
H8A0.73330.07920.28020.275*0.574 (9)
H8B0.68900.03510.30970.275*0.574 (9)
H8C0.81080.00780.26890.275*0.574 (9)
C7'0.689 (2)0.0757 (9)0.2260 (12)0.162 (5)0.426 (9)
H7C0.70180.07750.28850.195*0.426 (9)
H7D0.61840.05380.22460.195*0.426 (9)
C8'0.786 (2)0.0158 (14)0.2070 (16)0.183 (6)0.426 (9)
H8D0.79080.09270.25370.275*0.426 (9)
H8E0.85650.00510.20920.275*0.426 (9)
H8F0.77310.01900.14570.275*0.426 (9)
C90.1171 (5)0.6209 (5)0.0365 (4)0.1056 (18)
H9A0.11600.66280.03070.127*
H9B0.04410.60150.04930.127*
C100.1232 (7)0.7044 (6)0.0851 (5)0.150 (3)
H10A0.19890.71810.07760.180*
H10B0.11590.66590.15180.180*
C110.0337 (9)0.8258 (7)0.0528 (7)0.183 (4)
H11A0.05530.87830.08050.219*
H11B0.03470.86100.01500.219*
C120.0851 (9)0.8208 (9)0.0777 (8)0.221 (5)
H12A0.13670.89990.05330.332*
H12B0.08820.79060.14490.332*
H12C0.10740.76870.05090.332*
C130.2502 (5)0.2745 (6)0.1265 (5)0.117 (2)
H13A0.26730.23890.07740.140*
H13B0.31150.23340.17530.140*
C140.1395 (7)0.2558 (7)0.1671 (6)0.173 (3)
H14A0.11930.29700.21260.207*
H14B0.07940.29140.11720.207*
C150.1440 (8)0.1292 (7)0.2132 (7)0.187 (4)
H15A0.20020.09300.26600.225*
H15B0.16500.08590.16920.225*
C160.0257 (8)0.1258 (8)0.2465 (8)0.210 (5)
H16A0.02470.04410.27790.315*
H16B0.02890.16150.19350.315*
H16C0.00580.16970.28940.315*
C170.2764 (4)0.4357 (4)0.2688 (3)0.0750 (11)
C180.3441 (4)0.4030 (5)0.3589 (3)0.0885 (14)
H18A0.37910.46640.35570.106*
H18B0.40540.33020.36710.106*
C190.2694 (4)0.3836 (5)0.4433 (3)0.0844 (13)
H19A0.31330.37590.49850.101*
H19B0.20370.45330.43210.101*
C200.2276 (4)0.2744 (5)0.4625 (3)0.0807 (12)
C210.1267 (4)0.2638 (4)0.5215 (3)0.0741 (11)
C220.0878 (4)0.3355 (5)0.5755 (3)0.0854 (13)
H220.12490.39260.57550.102*
C230.0074 (5)0.3233 (5)0.6305 (4)0.0967 (15)
H230.03150.37100.66790.116*
C240.0660 (5)0.2409 (5)0.6297 (4)0.0937 (15)
C250.0253 (5)0.1715 (5)0.5746 (4)0.0987 (16)
H250.06340.11590.57280.118*
C260.0691 (5)0.1805 (5)0.5222 (4)0.0906 (14)
H260.09470.13030.48690.109*
C270.1686 (5)0.2301 (7)0.6899 (5)0.128 (2)
H27A0.21760.19700.66430.192*
H27B0.21080.30810.69060.192*
H27C0.14240.17850.75300.192*
C280.7933 (4)0.4926 (4)0.1527 (3)0.0710 (10)
C290.8686 (4)0.4938 (5)0.2297 (3)0.0838 (13)
H29A0.94810.47630.21260.101*
H29B0.84770.57360.23410.101*
C300.8589 (4)0.4045 (5)0.3249 (3)0.0875 (14)
H30A0.86990.32640.31850.105*
H30B0.92010.39810.36740.105*
C310.7458 (4)0.4368 (5)0.3677 (3)0.0795 (12)
C320.6954 (4)0.3387 (4)0.4279 (3)0.0751 (11)
C330.6163 (4)0.3654 (5)0.4906 (3)0.0851 (13)
H330.59610.44210.49470.102*
C340.5658 (4)0.2790 (5)0.5484 (3)0.0912 (14)
H340.51370.29810.59150.109*
C350.5926 (5)0.1653 (5)0.5420 (4)0.0927 (14)
C360.6714 (5)0.1393 (5)0.4794 (4)0.0990 (15)
H360.69050.06320.47420.119*
C370.7231 (5)0.2235 (5)0.4241 (4)0.0895 (14)
H370.77780.20280.38320.107*
C380.5353 (6)0.0733 (6)0.6021 (5)0.131 (2)
H38A0.47390.11080.63340.197*
H38B0.59060.01100.64810.197*
H38C0.50500.03940.56300.197*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Sn10.06127 (17)0.06943 (18)0.04551 (15)0.02226 (13)0.00844 (11)0.01960 (12)
Sn20.05913 (18)0.1006 (2)0.05267 (17)0.03022 (15)0.01152 (12)0.01953 (15)
O10.0574 (14)0.0796 (17)0.0465 (13)0.0246 (12)0.0107 (11)0.0202 (12)
O20.0713 (18)0.118 (2)0.0504 (15)0.0315 (17)0.0134 (13)0.0265 (15)
O30.0689 (19)0.132 (3)0.0628 (18)0.0295 (18)0.0084 (14)0.0306 (18)
O40.126 (3)0.104 (3)0.121 (3)0.017 (2)0.034 (3)0.050 (2)
O50.0736 (18)0.098 (2)0.0619 (17)0.0368 (16)0.0034 (14)0.0191 (15)
O60.099 (2)0.150 (3)0.0609 (19)0.066 (2)0.0087 (16)0.028 (2)
O70.124 (3)0.093 (2)0.086 (2)0.031 (2)0.019 (2)0.038 (2)
C10.088 (3)0.092 (3)0.098 (4)0.025 (3)0.015 (3)0.049 (3)
C20.166 (7)0.098 (4)0.189 (8)0.039 (5)0.045 (6)0.059 (5)
C30.277 (17)0.102 (7)0.167 (14)0.018 (8)0.003 (11)0.071 (8)
C40.33 (3)0.170 (14)0.27 (2)0.014 (13)0.05 (2)0.139 (17)
C3'0.277 (17)0.102 (7)0.167 (14)0.018 (8)0.003 (11)0.071 (8)
C4'0.33 (3)0.170 (14)0.27 (2)0.014 (13)0.05 (2)0.139 (17)
C50.085 (3)0.074 (3)0.078 (3)0.028 (2)0.001 (2)0.004 (2)
C60.117 (5)0.082 (4)0.196 (8)0.008 (3)0.018 (5)0.037 (4)
C70.211 (11)0.100 (6)0.160 (14)0.027 (6)0.022 (12)0.074 (9)
C80.227 (17)0.141 (9)0.141 (13)0.005 (10)0.017 (11)0.039 (9)
C7'0.211 (11)0.100 (6)0.160 (14)0.027 (6)0.022 (12)0.074 (9)
C8'0.227 (17)0.141 (9)0.141 (13)0.005 (10)0.017 (11)0.039 (9)
C90.080 (3)0.140 (5)0.074 (3)0.009 (3)0.010 (3)0.025 (3)
C100.183 (8)0.125 (5)0.119 (6)0.003 (5)0.034 (5)0.038 (4)
C110.221 (11)0.128 (7)0.156 (8)0.010 (8)0.033 (8)0.035 (6)
C120.271 (15)0.162 (9)0.196 (11)0.006 (10)0.023 (11)0.054 (8)
C130.116 (5)0.136 (5)0.115 (5)0.074 (4)0.027 (4)0.034 (4)
C140.217 (10)0.165 (8)0.155 (8)0.089 (7)0.018 (7)0.051 (6)
C150.242 (11)0.156 (8)0.179 (9)0.115 (8)0.056 (8)0.034 (6)
C160.196 (10)0.153 (8)0.222 (12)0.041 (7)0.063 (9)0.000 (7)
C170.086 (3)0.096 (3)0.054 (2)0.038 (3)0.019 (2)0.031 (2)
C180.086 (3)0.127 (4)0.057 (3)0.037 (3)0.007 (2)0.030 (3)
C190.093 (3)0.115 (4)0.052 (2)0.040 (3)0.012 (2)0.028 (2)
C200.089 (3)0.090 (3)0.057 (2)0.017 (3)0.004 (2)0.024 (2)
C210.083 (3)0.075 (3)0.055 (2)0.017 (2)0.002 (2)0.013 (2)
C220.093 (3)0.100 (3)0.072 (3)0.041 (3)0.019 (2)0.030 (3)
C230.098 (4)0.116 (4)0.076 (3)0.029 (3)0.013 (3)0.033 (3)
C240.083 (3)0.115 (4)0.074 (3)0.039 (3)0.002 (2)0.010 (3)
C250.110 (4)0.109 (4)0.082 (3)0.053 (3)0.004 (3)0.021 (3)
C260.110 (4)0.087 (3)0.074 (3)0.030 (3)0.001 (3)0.024 (3)
C270.100 (4)0.166 (6)0.118 (5)0.058 (4)0.017 (4)0.032 (4)
C280.072 (3)0.090 (3)0.059 (2)0.031 (2)0.0056 (19)0.028 (2)
C290.071 (3)0.116 (4)0.072 (3)0.035 (3)0.001 (2)0.034 (3)
C300.076 (3)0.118 (4)0.068 (3)0.028 (3)0.007 (2)0.029 (3)
C310.091 (3)0.101 (4)0.054 (2)0.026 (3)0.001 (2)0.034 (2)
C320.078 (3)0.091 (3)0.058 (2)0.023 (2)0.000 (2)0.028 (2)
C330.084 (3)0.101 (3)0.070 (3)0.020 (3)0.000 (2)0.032 (3)
C340.084 (3)0.121 (4)0.068 (3)0.029 (3)0.009 (2)0.030 (3)
C350.090 (3)0.104 (4)0.082 (3)0.033 (3)0.009 (3)0.022 (3)
C360.108 (4)0.096 (4)0.101 (4)0.036 (3)0.006 (3)0.037 (3)
C370.090 (3)0.106 (4)0.081 (3)0.028 (3)0.013 (3)0.043 (3)
C380.133 (5)0.140 (6)0.128 (5)0.065 (5)0.016 (4)0.033 (5)
Geometric parameters (Å, º) top
Sn1—O1i2.042 (2)C11—C121.481 (8)
Sn1—C52.114 (4)C11—H11A0.970
Sn1—C12.118 (4)C11—H11B0.970
Sn1—O12.166 (2)C12—H12A0.960
Sn1—O52.295 (3)C12—H12B0.960
Sn1—O22.713 (3)C12—H12C0.960
Sn2—O12.020 (2)C13—C141.491 (7)
Sn2—C92.095 (5)C13—H13A0.970
Sn2—C132.137 (6)C13—H13B0.970
Sn2—O22.158 (3)C14—C151.463 (7)
Sn2—O6i2.268 (3)C14—H14A0.970
O1—Sn1i2.042 (2)C14—H14B0.970
O2—C171.300 (5)C15—C161.502 (8)
O3—C171.226 (5)C15—H15A0.970
O4—C201.205 (5)C15—H15B0.970
O5—C281.258 (5)C16—H16A0.960
O6—C281.255 (5)C16—H16B0.960
O6—Sn2i2.268 (3)C16—H16C0.960
O7—C311.215 (6)C17—C181.494 (6)
C1—C21.470 (6)C18—C191.521 (6)
C1—H1A0.970C18—H18A0.970
C1—H1B0.970C18—H18B0.970
C2—C3'1.523 (10)C19—C201.495 (7)
C2—C31.552 (8)C19—H19A0.970
C2—H2A0.970C19—H19B0.970
C2—H2B0.970C20—C211.489 (6)
C3—C41.484 (10)C21—C221.376 (6)
C3—H3A0.970C21—C261.381 (6)
C3—H3B0.970C22—C231.402 (7)
C4—H4A0.960C22—H220.930
C4—H4B0.960C23—C241.388 (7)
C4—H4C0.960C23—H230.930
C3'—C4'1.506 (10)C24—C251.371 (8)
C3'—H3C0.970C24—C271.516 (8)
C3'—H3D0.970C25—C261.370 (7)
C4'—H4D0.960C25—H250.930
C4'—H4E0.960C26—H260.930
C4'—H4F0.960C27—H27A0.960
C5—C61.495 (6)C27—H27B0.960
C5—H5A0.970C27—H27C0.960
C5—H5B0.970C28—C291.512 (6)
C6—C71.523 (8)C29—C301.510 (6)
C6—C7'1.564 (9)C29—H29A0.970
C6—H6A0.970C29—H29B0.970
C6—H6B0.970C30—C311.501 (7)
C7—C81.479 (9)C30—H30A0.970
C7—H7A0.970C30—H30B0.970
C7—H7B0.970C31—C321.505 (7)
C8—H8A0.960C32—C331.373 (6)
C8—H8B0.960C32—C371.385 (7)
C8—H8C0.960C33—C341.395 (7)
C7'—C8'1.481 (10)C33—H330.930
C7'—H7C0.970C34—C351.384 (7)
C7'—H7D0.970C34—H340.930
C8'—H8D0.960C35—C361.367 (8)
C8'—H8E0.960C35—C381.503 (8)
C8'—H8F0.960C36—C371.373 (7)
C9—C101.467 (7)C36—H360.930
C9—H9A0.970C37—H370.930
C9—H9B0.970C38—H38A0.960
C10—C111.524 (7)C38—H38B0.960
C10—H10A0.970C38—H38C0.960
C10—H10B0.970
O1i—Sn1—C5111.49 (15)H10A—C10—H10B107.4
O1i—Sn1—C1108.41 (16)C12—C11—C10114.3 (8)
C5—Sn1—C1138.9 (2)C12—C11—H11A108.7
O1i—Sn1—O175.56 (10)C10—C11—H11A108.7
C5—Sn1—O197.28 (15)C12—C11—H11B108.7
C1—Sn1—O1101.72 (16)C10—C11—H11B108.7
O1i—Sn1—O588.72 (10)H11A—C11—H11B107.6
C5—Sn1—O583.93 (15)C11—C12—H12A109.5
C1—Sn1—O587.56 (16)C11—C12—H12B109.5
O1—Sn1—O5163.58 (10)H12A—C12—H12B109.5
O1i—Sn1—O2140.03 (9)C11—C12—H12C109.5
C5—Sn1—O279.14 (14)H12A—C12—H12C109.5
C1—Sn1—O276.71 (15)H12B—C12—H12C109.5
O1—Sn1—O264.73 (8)C14—C13—Sn2113.0 (5)
O5—Sn1—O2131.23 (9)C14—C13—H13A109.0
O1—Sn2—C9110.54 (18)Sn2—C13—H13A109.0
O1—Sn2—C13114.69 (18)C14—C13—H13B109.0
C9—Sn2—C13134.2 (2)Sn2—C13—H13B109.0
O1—Sn2—O278.73 (10)H13A—C13—H13B107.8
C9—Sn2—O2103.82 (18)C15—C14—C13113.2 (7)
C13—Sn2—O291.9 (2)C15—C14—H14A108.9
O1—Sn2—O6i91.62 (10)C13—C14—H14A108.9
C9—Sn2—O6i86.27 (18)C15—C14—H14B108.9
C13—Sn2—O6i85.5 (2)C13—C14—H14B108.9
O2—Sn2—O6i167.93 (12)H14A—C14—H14B107.8
Sn2—O1—Sn1i135.40 (13)C14—C15—C16106.5 (7)
Sn2—O1—Sn1120.08 (11)C14—C15—H15A110.4
Sn1i—O1—Sn1104.44 (10)C16—C15—H15A110.4
C17—O2—Sn2115.4 (3)C14—C15—H15B110.4
C17—O2—Sn1148.9 (3)C16—C15—H15B110.4
Sn2—O2—Sn195.63 (10)H15A—C15—H15B108.6
C28—O5—Sn1133.7 (3)C15—C16—H16A109.5
C28—O6—Sn2i131.0 (3)C15—C16—H16B109.5
C2—C1—Sn1117.5 (4)H16A—C16—H16B109.5
C2—C1—H1A107.9C15—C16—H16C109.5
Sn1—C1—H1A107.9H16A—C16—H16C109.5
C2—C1—H1B107.9H16B—C16—H16C109.5
Sn1—C1—H1B107.9O3—C17—O2121.5 (4)
H1A—C1—H1B107.2O3—C17—C18123.1 (4)
C1—C2—C3'116.8 (15)O2—C17—C18115.3 (4)
C1—C2—C3114.1 (7)C17—C18—C19111.9 (4)
C1—C2—H2A108.7C17—C18—H18A109.2
C3'—C2—H2A79.1C19—C18—H18A109.2
C3—C2—H2A108.7C17—C18—H18B109.2
C1—C2—H2B108.7C19—C18—H18B109.2
C3'—C2—H2B128.9H18A—C18—H18B107.9
C3—C2—H2B108.7C20—C19—C18112.5 (4)
H2A—C2—H2B107.6C20—C19—H19A109.1
C4—C3—C2107.8 (9)C18—C19—H19A109.1
C4—C3—H3A110.1C20—C19—H19B109.1
C2—C3—H3A110.1C18—C19—H19B109.1
C4—C3—H3B110.1H19A—C19—H19B107.8
C2—C3—H3B110.1O4—C20—C21120.3 (5)
H3A—C3—H3B108.5O4—C20—C19121.2 (5)
C3—C4—H4A109.5C21—C20—C19118.5 (4)
C3—C4—H4B109.5C22—C21—C26118.4 (5)
H4A—C4—H4B109.5C22—C21—C20121.8 (4)
C3—C4—H4C109.5C26—C21—C20119.8 (4)
H4A—C4—H4C109.5C21—C22—C23120.6 (5)
H4B—C4—H4C109.5C21—C22—H22119.7
C4'—C3'—C2109.4 (14)C23—C22—H22119.7
C4'—C3'—H3C109.8C24—C23—C22120.8 (5)
C2—C3'—H3C109.8C24—C23—H23119.6
C4'—C3'—H3D109.8C22—C23—H23119.6
C2—C3'—H3D109.8C25—C24—C23117.0 (5)
H3C—C3'—H3D108.3C25—C24—C27123.6 (6)
C3'—C4'—H4D109.5C23—C24—C27119.4 (6)
C3'—C4'—H4E109.5C26—C25—C24122.8 (5)
H4D—C4'—H4E109.5C26—C25—H25118.6
C3'—C4'—H4F109.5C24—C25—H25118.6
H4D—C4'—H4F109.5C25—C26—C21120.4 (5)
H4E—C4'—H4F109.5C25—C26—H26119.8
C6—C5—Sn1117.1 (3)C21—C26—H26119.8
C6—C5—H5A108.0C24—C27—H27A109.5
Sn1—C5—H5A108.0C24—C27—H27B109.5
C6—C5—H5B108.0H27A—C27—H27B109.5
Sn1—C5—H5B108.0C24—C27—H27C109.5
H5A—C5—H5B107.3H27A—C27—H27C109.5
C5—C6—C7117.2 (8)H27B—C27—H27C109.5
C5—C6—C7'103.5 (7)O6—C28—O5124.2 (4)
C5—C6—H6A108.0O6—C28—C29117.9 (4)
C7—C6—H6A108.0O5—C28—C29117.8 (4)
C7'—C6—H6A85.8C30—C29—C28113.4 (4)
C5—C6—H6B108.0C30—C29—H29A108.9
C7—C6—H6B108.0C28—C29—H29A108.9
C7'—C6—H6B139.6C30—C29—H29B108.9
H6A—C6—H6B107.2C28—C29—H29B108.9
C8—C7—C6106.9 (10)H29A—C29—H29B107.7
C8—C7—H7A110.3C31—C30—C29113.8 (4)
C6—C7—H7A110.3C31—C30—H30A108.8
C8—C7—H7B110.3C29—C30—H30A108.8
C6—C7—H7B110.3C31—C30—H30B108.8
H7A—C7—H7B108.6C29—C30—H30B108.8
C7—C8—H8A109.5H30A—C30—H30B107.7
C7—C8—H8B109.5O7—C31—C30120.3 (5)
H8A—C8—H8B109.5O7—C31—C32120.1 (5)
C7—C8—H8C109.5C30—C31—C32119.5 (5)
H8A—C8—H8C109.5C33—C32—C37117.8 (5)
H8B—C8—H8C109.5C33—C32—C31117.7 (4)
C8'—C7'—C6111.8 (11)C37—C32—C31124.5 (4)
C8'—C7'—H7C109.3C32—C33—C34120.8 (5)
C6—C7'—H7C109.3C32—C33—H33119.6
C8'—C7'—H7D109.3C34—C33—H33119.6
C6—C7'—H7D109.3C35—C34—C33120.6 (5)
H7C—C7'—H7D107.9C35—C34—H34119.7
C7'—C8'—H8D109.5C33—C34—H34119.7
C7'—C8'—H8E109.5C36—C35—C34118.3 (5)
H8D—C8'—H8E109.5C36—C35—C38121.1 (6)
C7'—C8'—H8F109.5C34—C35—C38120.6 (6)
H8D—C8'—H8F109.5C35—C36—C37121.1 (5)
H8E—C8'—H8F109.5C35—C36—H36119.5
C10—C9—Sn2117.9 (4)C37—C36—H36119.5
C10—C9—H9A107.8C36—C37—C32121.4 (5)
Sn2—C9—H9A107.8C36—C37—H37119.3
C10—C9—H9B107.8C32—C37—H37119.3
Sn2—C9—H9B107.8C35—C38—H38A109.5
H9A—C9—H9B107.2C35—C38—H38B109.5
C9—C10—C11116.3 (6)H38A—C38—H38B109.5
C9—C10—H10A108.2C35—C38—H38C109.5
C11—C10—H10A108.2H38A—C38—H38C109.5
C9—C10—H10B108.2H38B—C38—H38C109.5
C11—C10—H10B108.2
C9—Sn2—O1—Sn1i74.5 (2)C5—C6—C7'—C8'175.7 (19)
C13—Sn2—O1—Sn1i97.9 (3)C7—C6—C7'—C8'56 (2)
O2—Sn2—O1—Sn1i175.2 (2)O1—Sn2—C9—C1070.5 (5)
O6i—Sn2—O1—Sn1i12.1 (2)C13—Sn2—C9—C10119.2 (6)
C9—Sn2—O1—Sn1109.6 (2)O2—Sn2—C9—C1012.5 (6)
C13—Sn2—O1—Sn178.0 (2)O6i—Sn2—C9—C10160.8 (5)
O2—Sn2—O1—Sn18.88 (14)Sn2—C9—C10—C11174.3 (6)
O6i—Sn2—O1—Sn1163.82 (16)C9—C10—C11—C1269.7 (12)
O1i—Sn1—O1—Sn2177.1 (2)O1—Sn2—C13—C14177.7 (5)
C5—Sn1—O1—Sn266.66 (18)C9—Sn2—C13—C1412.2 (7)
C1—Sn1—O1—Sn276.71 (19)O2—Sn2—C13—C1499.3 (5)
O5—Sn1—O1—Sn2159.9 (3)O6i—Sn2—C13—C1492.6 (6)
O2—Sn1—O1—Sn27.65 (12)Sn2—C13—C14—C15175.4 (6)
O1i—Sn1—O1—Sn1i0.0C13—C14—C15—C16177.8 (8)
C5—Sn1—O1—Sn1i110.39 (16)Sn2—O2—C17—O313.0 (6)
C1—Sn1—O1—Sn1i106.24 (16)Sn1—O2—C17—O3171.8 (4)
O5—Sn1—O1—Sn1i17.2 (4)Sn2—O2—C17—C18167.3 (3)
O2—Sn1—O1—Sn1i175.29 (15)Sn1—O2—C17—C187.9 (8)
O1—Sn2—O2—C17176.3 (3)O3—C17—C18—C192.1 (7)
C9—Sn2—O2—C1767.7 (4)O2—C17—C18—C19178.1 (4)
C13—Sn2—O2—C1768.9 (4)C17—C18—C19—C2068.2 (6)
O6i—Sn2—O2—C17146.3 (5)C18—C19—C20—O418.1 (7)
O1—Sn2—O2—Sn16.15 (9)C18—C19—C20—C21161.1 (4)
C9—Sn2—O2—Sn1114.78 (18)O4—C20—C21—C22165.8 (5)
C13—Sn2—O2—Sn1108.64 (18)C19—C20—C21—C2215.0 (6)
O6i—Sn2—O2—Sn131.2 (6)O4—C20—C21—C2614.7 (7)
O1i—Sn1—O2—C17171.0 (5)C19—C20—C21—C26164.6 (4)
C5—Sn1—O2—C1778.4 (6)C26—C21—C22—C230.6 (7)
C1—Sn1—O2—C1768.1 (6)C20—C21—C22—C23179.9 (4)
O1—Sn1—O2—C17178.1 (6)C21—C22—C23—C241.7 (8)
O5—Sn1—O2—C176.5 (6)C22—C23—C24—C251.2 (8)
O1i—Sn1—O2—Sn213.3 (2)C22—C23—C24—C27179.9 (5)
C5—Sn1—O2—Sn297.26 (17)C23—C24—C25—C260.3 (8)
C1—Sn1—O2—Sn2116.24 (18)C27—C24—C25—C26178.5 (5)
O1—Sn1—O2—Sn26.22 (9)C24—C25—C26—C211.4 (8)
O5—Sn1—O2—Sn2169.13 (11)C22—C21—C26—C250.9 (7)
O1i—Sn1—O5—C2838.5 (4)C20—C21—C26—C25178.7 (5)
C5—Sn1—O5—C28150.3 (4)Sn2i—O6—C28—O521.4 (7)
C1—Sn1—O5—C2870.0 (4)Sn2i—O6—C28—C29162.6 (3)
O1—Sn1—O5—C2855.1 (6)Sn1—O5—C28—O626.8 (7)
O2—Sn1—O5—C28139.9 (4)Sn1—O5—C28—C29149.2 (3)
O1i—Sn1—C1—C222.3 (5)O6—C28—C29—C30169.7 (5)
C5—Sn1—C1—C2143.4 (5)O5—C28—C29—C3014.1 (6)
O1—Sn1—C1—C2100.8 (5)C28—C29—C30—C3170.3 (6)
O5—Sn1—C1—C265.5 (5)C29—C30—C31—O736.7 (6)
O2—Sn1—C1—C2161.0 (5)C29—C30—C31—C32146.6 (4)
Sn1—C1—C2—C3'156.3 (15)O7—C31—C32—C3318.5 (6)
Sn1—C1—C2—C3169.2 (7)C30—C31—C32—C33158.2 (4)
C1—C2—C3—C479.6 (15)O7—C31—C32—C37161.3 (5)
C3'—C2—C3—C423 (3)C30—C31—C32—C3722.1 (6)
C1—C2—C3'—C4'59 (4)C37—C32—C33—C340.0 (7)
C3—C2—C3'—C4'34 (4)C31—C32—C33—C34179.8 (4)
O1i—Sn1—C5—C628.6 (5)C32—C33—C34—C351.5 (7)
C1—Sn1—C5—C6136.9 (5)C33—C34—C35—C361.5 (8)
O1—Sn1—C5—C6105.9 (5)C33—C34—C35—C38178.0 (5)
O5—Sn1—C5—C657.6 (5)C34—C35—C36—C370.0 (8)
O2—Sn1—C5—C6168.3 (5)C38—C35—C36—C37179.5 (5)
Sn1—C5—C6—C7158.3 (6)C35—C36—C37—C321.5 (8)
Sn1—C5—C6—C7'169.4 (10)C33—C32—C37—C361.5 (7)
C5—C6—C7—C890.0 (15)C31—C32—C37—C36178.2 (5)
C7'—C6—C7—C818.0 (17)
Symmetry code: (i) x+1, y+1, z.
 

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