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The crystal structure of the title compound, bis­[μ2-3-(4-methoxy­phenyl)-2-phenyl-2-propenoato]­bis­[3-(4-methoxy­phenyl)-2-phenyl-2-propenoato]­di-μ3-oxo-tetrakis­[di­butyl­tin(IV)], [Sn4(C4H9)8(C17H15O2)4O2], is composed of centrosymmetric dimers in which di­butyl­bis{[3-(4-methoxy­phenyl)-2-phenyl-2-propenoato]­tin} units containing monodentate and bridging bidentate ligands are coordinated to the central Sn2O2 core through its O atoms. Both Sn atoms adopt distorted trigonal bipyramidal geometry, with Sn—C distances lying in a narrow range 2.096 (13)–2.161 (6) Å, while Sn—O distances range between 2.041 (2) and 2.262 (3) Å.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804022950/lh6275sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804022950/lh6275Isup2.hkl
Contains datablock I

CCDC reference: 240307

Key indicators

  • Single-crystal X-ray study
  • T = 173 K
  • Mean [sigma](C-C) = 0.008 Å
  • R factor = 0.046
  • wR factor = 0.097
  • Data-to-parameter ratio = 21.7

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT220_ALERT_2_A Large Non-Solvent C Ueq(max)/Ueq(min) ... 5.27 Ratio
Author Response: Due to disordered C-atoms of the ^n^Bu groups.
PLAT222_ALERT_3_A Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       5.88 Ratio
Author Response: Associated with the problem given above (Due to disordered C-atoms of the ^n^Bu groups).
PLAT305_ALERT_2_A Isolated Hydrogen Atom (Outside Bond Range ??)        <H44D
Author Response: Associated with the problem given above (Due to disordered C-atoms of the ^n^Bu groups).
PLAT305_ALERT_2_A Isolated Hydrogen Atom (Outside Bond Range ??)        <H44E
Author Response: Associated with the problem given above (Due to disordered C-atoms of the ^n^Bu groups).
PLAT305_ALERT_2_A Isolated Hydrogen Atom (Outside Bond Range ??)        <H44F
Author Response: Associated with the problem given above (Due to disordered C-atoms of the ^n^Bu groups).
PLAT305_ALERT_2_A Isolated Hydrogen Atom (Outside Bond Range ??)        <H45C
Author Response: Associated with the problem given above (Due to disordered C-atoms of the ^n^Bu groups).
PLAT305_ALERT_2_A Isolated Hydrogen Atom (Outside Bond Range ??)        <H45D
Author Response: Associated with the problem given above (Due to disordered C-atoms of the ^n^Bu groups).
PLAT305_ALERT_2_A Isolated Hydrogen Atom (Outside Bond Range ??)        <H46C
Author Response: Associated with the problem given above (Due to disordered C-atoms of the ^n^Bu groups).
PLAT305_ALERT_2_A Isolated Hydrogen Atom (Outside Bond Range ??)        <H46D
Author Response: Associated with the problem given above (Due to disordered C-atoms of the ^n^Bu groups).
PLAT305_ALERT_2_A Isolated Hydrogen Atom (Outside Bond Range ??)        <H47C
Author Response: Associated with the problem given above (Due to disordered C-atoms of the ^n^Bu groups).
PLAT305_ALERT_2_A Isolated Hydrogen Atom (Outside Bond Range ??)        <H47D
Author Response: Associated with the problem given above (Due to disordered C-atoms of the ^n^Bu groups).
PLAT305_ALERT_2_A Isolated Hydrogen Atom (Outside Bond Range ??)        <H48D
Author Response: Associated with the problem given above (Due to disordered C-atoms of the ^n^Bu groups).
PLAT305_ALERT_2_A Isolated Hydrogen Atom (Outside Bond Range ??)        <H48E
Author Response: Associated with the problem given above (Due to disordered C-atoms of the ^n^Bu groups).
PLAT305_ALERT_2_A Isolated Hydrogen Atom (Outside Bond Range ??)        <H48F
Author Response: Associated with the problem given above (Due to disordered C-atoms of the ^n^Bu groups).
PLAT413_ALERT_2_A Short Inter XH3 .. XHn     H40A   ..  H44D    ..       1.87 Ang.

Alert level B PLAT201_ALERT_2_B Isotropic non-H Atoms in Main Residue(s) ....... 5
Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.98 PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)... ? PLAT074_ALERT_1_C Occupancy Parameter = 0.0 for .................. C43' PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors for O2 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors for C43 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors for C47 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors for C47' PLAT301_ALERT_3_C Main Residue Disorder ......................... 8.00 Perc. PLAT411_ALERT_2_C Short Inter H...H Contact H30 .. H44F .. 2.11 Ang. PLAT413_ALERT_2_C Short Inter XH3 .. XHn H40B .. H44D .. 2.11 Ang. PLAT432_ALERT_2_C Short Inter X...Y Contact C40 .. C44' .. 3.16 Ang. PLAT432_ALERT_2_C Short Inter X...Y Contact C44 .. C44 .. 3.10 Ang.
Alert level G FORMU01_ALERT_2_G There is a discrepancy between the atom counts in the _chemical_formula_sum and the formula from the _atom_site* data. Atom count from _chemical_formula_sum:C96 H124 O14 Sn4 Atom count from the _atom_site data: C96.02399 H124 O14 Sn4
15 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 14 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 24 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

Computing details top

Data collection: COLLECT (Hooft, 1998); cell refinement: HKL DENZO (Otwinowski & Minor, 1997); data reduction: SCALEPACK (Otwinowski & Minor, 1997); program(s) used to solve structure: SAPI91 (Fan, 1991); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.

bis[µ2-3-(4-methoxyphenyl)-2-phenyl-2-propenoato]bis[3-(4-methoxyphenyl)- 2-phenyl-2-propenoato]di-µ3oxo-tetrakis[dibutyltin(IV)] top
Crystal data top
[Sn4(C4H9)8(C17H15O2)4O2]Z = 1
Mr = 1976.72F(000) = 1012
Triclinic, P1Dx = 1.441 Mg m3
Hall symbol: -P 1Melting point = 376–378 K
a = 12.971 (2) ÅMo Kα radiation, λ = 0.71073 Å
b = 13.429 (3) ÅCell parameters from 43035 reflections
c = 15.088 (3) Åθ = 2.7–28.3°
α = 92.490 (11)°µ = 1.15 mm1
β = 96.820 (11)°T = 173 K
γ = 118.531 (8)°Prism, colorless
V = 2277.5 (8) Å30.10 × 0.08 × 0.08 mm
Data collection top
Nonius KappaCCD
diffractometer
11049 independent reflections
Radiation source: fine-focus sealed tube7022 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.084
ω and φ scansθmax = 28.3°, θmin = 2.7°
Absorption correction: multi-scan
(SORTAV; Blessing, 1997)
h = 1717
Tmin = 0.894, Tmax = 0.914k = 1717
43035 measured reflectionsl = 1919
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)] = 0.046Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.097H-atom parameters constrained
S = 1.02 w = 1/[σ2(Fo2) + (0.031P)2 + 2.28P]
where P = (Fo2 + 2Fc2)/3
11049 reflections(Δ/σ)max = 0.002
510 parametersΔρmax = 0.72 e Å3
8 restraintsΔρmin = 0.92 e Å3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Sn10.42616 (2)0.57298 (2)0.995031 (17)0.02952 (9)
Sn20.38616 (2)0.38833 (2)0.787339 (17)0.03005 (9)
O10.3346 (3)0.6089 (2)0.87460 (19)0.0422 (7)
O20.2497 (3)0.4483 (2)0.7802 (2)0.0520 (9)
O30.2278 (3)0.6085 (3)0.4785 (2)0.0562 (9)
O40.5220 (2)0.3353 (2)0.80965 (16)0.0352 (7)
O50.4248 (3)0.2472 (3)0.67464 (19)0.0517 (8)
O60.8809 (3)0.0301 (3)0.50410 (19)0.0494 (8)
O70.4604 (2)0.4698 (2)0.91445 (16)0.0295 (6)
C10.2657 (4)0.5458 (3)0.8038 (3)0.0348 (10)
C20.2015 (3)0.5946 (3)0.7481 (2)0.0311 (9)
C30.1069 (4)0.5242 (4)0.6866 (3)0.0349 (10)
H30.08960.44680.68030.042*
C40.2451 (4)0.7194 (3)0.7684 (2)0.0310 (9)
C50.3520 (4)0.7983 (4)0.7436 (3)0.0448 (11)
H50.39860.77230.71660.054*
C60.3915 (5)0.9153 (4)0.7579 (4)0.0646 (15)
H60.46380.96870.74000.077*
C70.3235 (6)0.9521 (5)0.7986 (4)0.0711 (18)
H70.35011.03150.80940.085*
C80.2182 (6)0.8749 (5)0.8234 (3)0.0637 (15)
H80.17170.90080.85090.076*
C90.1799 (4)0.7595 (4)0.8084 (3)0.0468 (12)
H90.10710.70670.82600.056*
C100.0267 (4)0.5507 (3)0.6279 (2)0.0328 (9)
C110.0568 (4)0.6573 (4)0.6010 (3)0.0354 (10)
H110.13610.71740.61840.042*
C120.0237 (4)0.6796 (4)0.5501 (3)0.0395 (10)
H120.00050.75360.53240.047*
C130.1402 (4)0.5934 (4)0.5249 (3)0.0392 (10)
C140.1723 (4)0.4837 (4)0.5466 (3)0.0432 (11)
H140.25110.42340.52790.052*
C150.0889 (4)0.4631 (4)0.5954 (2)0.0375 (10)
H150.11050.38730.60730.045*
C160.1961 (5)0.7223 (5)0.4599 (3)0.0629 (15)
H16A0.16450.77330.51630.094*
H16B0.26660.72380.43010.094*
H16C0.13540.74760.42050.094*
C170.5102 (4)0.2761 (4)0.7356 (3)0.0384 (10)
C180.6048 (4)0.2445 (3)0.7257 (3)0.0349 (10)
C190.5983 (4)0.1916 (3)0.6456 (3)0.0377 (10)
H190.53200.17880.60280.045*
C200.7025 (4)0.2784 (4)0.8030 (3)0.0357 (10)
C210.8155 (4)0.3661 (4)0.8016 (3)0.0480 (12)
H210.83110.40850.75140.058*
C220.9070 (4)0.3937 (5)0.8721 (4)0.0616 (15)
H220.98450.45380.86920.074*
C230.8870 (5)0.3359 (5)0.9449 (4)0.0687 (17)
H230.95010.35490.99280.082*
C240.7743 (6)0.2490 (5)0.9491 (3)0.0636 (15)
H240.75970.20871.00050.076*
C250.6818 (4)0.2200 (4)0.8787 (3)0.0475 (12)
H250.60430.16030.88220.057*
C260.6736 (4)0.1502 (3)0.6120 (2)0.0345 (9)
C270.6512 (4)0.1123 (4)0.5207 (3)0.0419 (11)
H270.58800.11470.48370.050*
C280.7171 (4)0.0713 (4)0.4816 (3)0.0429 (11)
H280.69950.04670.41900.051*
C290.8078 (4)0.0666 (3)0.5343 (3)0.0387 (10)
C300.8322 (4)0.1026 (4)0.6254 (3)0.0471 (12)
H300.89530.09940.66180.056*
C310.7663 (4)0.1429 (4)0.6642 (3)0.0448 (11)
H310.78380.16600.72700.054*
C320.8604 (4)0.0054 (4)0.4102 (3)0.0550 (13)
H32A0.78080.07140.39340.083*
H32B0.91990.02650.39640.083*
H32C0.86650.05730.37620.083*
C330.5493 (4)0.7497 (3)1.0027 (3)0.0479 (12)
H33A0.51180.79261.02580.058*
H33B0.61910.76641.04790.058*
C340.5924 (5)0.7946 (5)0.9206 (4)0.0762 (17)
H34A0.52310.76960.87260.091*
H34B0.64050.76050.90190.091*
C350.6663 (7)0.9227 (5)0.9276 (5)0.105 (2)
H35A0.73440.94980.97700.126*
H35B0.61770.95840.94120.126*
C360.7120 (7)0.9569 (6)0.8380 (5)0.110 (2)
H36A0.75610.91780.82320.165*
H36B0.76451.03960.84350.165*
H36C0.64430.93500.79020.165*
C370.2590 (4)0.4727 (4)1.0368 (3)0.0387 (10)
H37A0.22690.52391.05210.046*
H37B0.20390.41780.98500.046*
C380.2568 (4)0.4065 (4)1.1155 (3)0.0530 (12)
H38A0.29030.35621.10120.064*
H38B0.30970.46121.16820.064*
C390.1371 (4)0.3349 (5)1.1413 (4)0.0617 (14)
H39A0.08530.27761.08970.074*
H39B0.10190.38441.15280.074*
C400.1369 (6)0.2732 (6)1.2231 (5)0.101 (2)
H40A0.17340.22531.21330.152*
H40B0.05480.22521.23300.152*
H40C0.18220.32921.27590.152*
C410.2379 (4)0.2250 (3)0.7925 (3)0.0364 (10)
H41A0.18850.19880.73220.044*
H41B0.26820.17110.80470.044*
C420.1585 (5)0.2164 (4)0.8602 (4)0.0617 (14)
H42A0.12120.26420.84530.074*
H42B0.20760.24720.92040.074*
C430.0605 (6)0.0941 (6)0.8638 (5)0.102 (2)
H43A0.00370.06630.80690.122*0.784 (18)
H43B0.09590.04330.87130.122*0.784 (18)
C440.0048 (11)0.0913 (11)0.9430 (7)0.164 (6)*0.784 (18)
H44A0.06750.01300.94530.247*0.784 (18)
H44B0.04040.14100.93500.247*0.784 (18)
H44C0.05160.11810.99920.247*0.784 (18)
C43'0.0605 (6)0.0941 (6)0.8638 (5)0.102 (2)0.00
H43C0.08970.06680.91590.122*0.216 (18)
H43D0.00770.10080.88020.122*0.216 (18)
C44'0.008 (4)0.004 (3)0.788 (2)0.164 (6)*0.22
H44D0.05430.07250.80800.247*0.216 (18)
H44E0.07090.01950.77290.247*0.216 (18)
H44F0.02550.01670.73530.247*0.216 (18)
C450.4759 (6)0.4857 (5)0.6836 (4)0.0379 (16)*0.682 (7)
H45A0.55660.49400.69160.045*0.682 (7)
H45B0.43340.43920.62520.045*0.682 (7)
C460.4892 (7)0.6025 (5)0.6765 (4)0.0572 (19)*0.682 (7)
H46A0.53920.65410.73140.069*0.682 (7)
H46B0.41030.59800.67080.069*0.682 (7)
C470.5475 (8)0.6501 (6)0.5934 (5)0.059 (2)*0.682 (7)
H47A0.62240.64680.59640.070*0.682 (7)
H47B0.49370.60180.53840.070*0.682 (7)
C480.5738 (10)0.7729 (7)0.5877 (7)0.102 (3)*0.682 (7)
H48A0.61410.80150.53600.152*0.682 (7)
H48B0.62500.82050.64290.152*0.682 (7)
H48C0.49910.77560.58050.152*0.682 (7)
C45'0.4488 (11)0.5241 (12)0.7087 (8)0.0379 (16)*0.32
H45C0.37950.51560.66690.045*0.318 (7)
H45D0.47820.59520.74940.045*0.318 (7)
C46'0.5465 (12)0.5423 (11)0.6525 (10)0.0572 (19)*0.32
H46C0.51230.48470.59900.069*0.318 (7)
H46D0.60930.53250.68860.069*0.318 (7)
C47'0.6013 (15)0.6643 (12)0.6224 (11)0.059 (2)*0.32
H47C0.67210.67870.59500.070*0.318 (7)
H47D0.62860.72040.67640.070*0.318 (7)
C48'0.5171 (19)0.686 (2)0.5551 (14)0.102 (3)*0.32
H48D0.56030.76260.53720.152*0.318 (7)
H48E0.45010.67870.58330.152*0.318 (7)
H48F0.48750.62940.50190.152*0.318 (7)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Sn10.03051 (17)0.02894 (16)0.03372 (16)0.01878 (14)0.00114 (12)0.00632 (12)
Sn20.02964 (17)0.03012 (16)0.03081 (16)0.01565 (14)0.00015 (12)0.00666 (12)
O10.0488 (19)0.0375 (17)0.0461 (17)0.0288 (16)0.0088 (14)0.0085 (14)
O20.048 (2)0.0330 (17)0.077 (2)0.0277 (16)0.0200 (16)0.0003 (15)
O30.0415 (19)0.068 (2)0.056 (2)0.0296 (18)0.0159 (15)0.0086 (17)
O40.0336 (16)0.0482 (18)0.0294 (15)0.0256 (15)0.0014 (12)0.0007 (13)
O50.0381 (19)0.081 (2)0.0367 (17)0.0332 (18)0.0038 (14)0.0089 (16)
O60.058 (2)0.061 (2)0.0424 (18)0.0406 (18)0.0069 (15)0.0031 (15)
O70.0326 (16)0.0342 (15)0.0291 (14)0.0229 (13)0.0013 (11)0.0047 (11)
C10.029 (2)0.033 (2)0.049 (3)0.020 (2)0.0061 (19)0.014 (2)
C20.033 (2)0.036 (2)0.033 (2)0.024 (2)0.0025 (18)0.0075 (18)
C30.036 (2)0.035 (2)0.038 (2)0.021 (2)0.0035 (19)0.0069 (19)
C40.036 (2)0.034 (2)0.028 (2)0.022 (2)0.0027 (17)0.0072 (17)
C50.038 (3)0.040 (3)0.059 (3)0.022 (2)0.000 (2)0.011 (2)
C60.054 (3)0.040 (3)0.082 (4)0.014 (3)0.014 (3)0.015 (3)
C70.084 (5)0.041 (3)0.087 (4)0.040 (3)0.029 (3)0.009 (3)
C80.086 (5)0.066 (4)0.062 (3)0.058 (4)0.001 (3)0.003 (3)
C90.057 (3)0.056 (3)0.042 (3)0.039 (3)0.008 (2)0.006 (2)
C100.035 (2)0.039 (2)0.029 (2)0.022 (2)0.0003 (17)0.0042 (18)
C110.031 (2)0.035 (2)0.038 (2)0.016 (2)0.0007 (18)0.0100 (18)
C120.045 (3)0.044 (3)0.036 (2)0.027 (2)0.003 (2)0.0102 (19)
C130.033 (3)0.054 (3)0.030 (2)0.023 (2)0.0048 (18)0.003 (2)
C140.034 (3)0.043 (3)0.038 (2)0.010 (2)0.0017 (19)0.000 (2)
C150.045 (3)0.039 (2)0.029 (2)0.022 (2)0.0006 (19)0.0038 (18)
C160.054 (3)0.077 (4)0.068 (3)0.042 (3)0.004 (3)0.028 (3)
C170.035 (3)0.047 (3)0.033 (2)0.020 (2)0.0050 (19)0.004 (2)
C180.031 (2)0.037 (2)0.036 (2)0.016 (2)0.0083 (18)0.0045 (19)
C190.035 (3)0.041 (3)0.035 (2)0.017 (2)0.0032 (18)0.0019 (19)
C200.038 (3)0.042 (3)0.031 (2)0.024 (2)0.0012 (18)0.0048 (19)
C210.036 (3)0.061 (3)0.045 (3)0.022 (3)0.010 (2)0.003 (2)
C220.035 (3)0.075 (4)0.068 (4)0.026 (3)0.002 (3)0.026 (3)
C230.064 (4)0.083 (4)0.065 (4)0.051 (4)0.024 (3)0.024 (3)
C240.096 (5)0.068 (4)0.042 (3)0.057 (4)0.007 (3)0.006 (3)
C250.058 (3)0.049 (3)0.039 (3)0.030 (3)0.002 (2)0.002 (2)
C260.039 (3)0.036 (2)0.027 (2)0.017 (2)0.0060 (18)0.0022 (17)
C270.039 (3)0.052 (3)0.033 (2)0.023 (2)0.0023 (19)0.004 (2)
C280.042 (3)0.050 (3)0.033 (2)0.019 (2)0.006 (2)0.005 (2)
C290.040 (3)0.034 (2)0.042 (3)0.018 (2)0.008 (2)0.0013 (19)
C300.058 (3)0.056 (3)0.039 (3)0.039 (3)0.005 (2)0.004 (2)
C310.060 (3)0.050 (3)0.032 (2)0.032 (3)0.007 (2)0.003 (2)
C320.055 (3)0.065 (3)0.049 (3)0.035 (3)0.004 (2)0.014 (2)
C330.053 (3)0.029 (2)0.049 (3)0.011 (2)0.002 (2)0.013 (2)
C340.075 (4)0.062 (4)0.064 (4)0.010 (3)0.010 (3)0.013 (3)
C350.112 (6)0.066 (4)0.095 (5)0.008 (4)0.012 (4)0.049 (4)
C360.122 (7)0.093 (5)0.118 (6)0.050 (5)0.030 (5)0.045 (5)
C370.029 (2)0.041 (3)0.044 (2)0.017 (2)0.0011 (18)0.003 (2)
C380.036 (3)0.054 (3)0.071 (3)0.022 (3)0.011 (2)0.022 (3)
C390.043 (3)0.060 (3)0.082 (4)0.021 (3)0.023 (3)0.028 (3)
C400.063 (4)0.109 (6)0.129 (6)0.029 (4)0.041 (4)0.072 (5)
C410.034 (2)0.027 (2)0.044 (2)0.013 (2)0.0018 (19)0.0010 (18)
C420.061 (4)0.051 (3)0.075 (4)0.025 (3)0.028 (3)0.006 (3)
C430.066 (4)0.091 (5)0.130 (6)0.013 (4)0.058 (4)0.027 (4)
C43'0.066 (4)0.091 (5)0.130 (6)0.013 (4)0.058 (4)0.027 (4)
Geometric parameters (Å, º) top
Sn1—O72.041 (2)C28—H280.9500
Sn1—C332.123 (4)C29—C301.384 (6)
Sn1—C372.127 (4)C30—C311.378 (6)
Sn1—O7i2.182 (2)C30—H300.9500
Sn1—O12.249 (3)C31—H310.9500
Sn2—C45'2.096 (13)C32—H32A0.9800
Sn2—O72.043 (2)C32—H32B0.9800
Sn2—C412.130 (4)C32—H32C0.9800
Sn2—C452.161 (6)C33—C341.456 (7)
Sn2—O42.192 (2)C33—H33A0.9900
Sn2—O22.262 (3)C33—H33B0.9900
Sn2—O52.750 (3)C34—C351.508 (8)
O1—C11.277 (5)C34—H34A0.9900
O2—C11.252 (5)C34—H34B0.9900
O3—C131.365 (5)C35—C361.541 (9)
O3—C161.431 (6)C35—H35A0.9900
O4—C171.292 (5)C35—H35B0.9900
O5—C171.241 (5)C36—H36A0.9800
O6—C291.369 (5)C36—H36B0.9800
O6—C321.427 (5)C36—H36C0.9800
O7—Sn1i2.182 (2)C37—C381.509 (6)
C1—C21.494 (5)C37—H37A0.9900
C2—C31.343 (5)C37—H37B0.9900
C2—C41.494 (5)C38—C391.496 (6)
C3—C101.468 (5)C38—H38A0.9900
C3—H30.9500C38—H38B0.9900
C4—C91.378 (6)C39—C401.516 (7)
C4—C51.392 (6)C39—H39A0.9900
C5—C61.397 (6)C39—H39B0.9900
C5—H50.9500C40—H40A0.9800
C6—C71.384 (8)C40—H40B0.9800
C6—H60.9500C40—H40C0.9800
C7—C81.373 (8)C41—C421.505 (6)
C7—H70.9500C41—H41A0.9900
C8—C91.381 (7)C41—H41B0.9900
C8—H80.9500C42—C431.531 (8)
C9—H90.9500C42—H42A0.9900
C10—C111.386 (5)C42—H42B0.9900
C10—C151.401 (6)C43—C441.537 (7)
C11—C121.377 (5)C43—H43A0.9900
C11—H110.9500C43—H43B0.9900
C12—C131.387 (6)C44—H44A0.9800
C12—H120.9500C44—H44B0.9800
C13—C141.393 (6)C44—H44C0.9800
C14—C151.379 (6)C44'—H44D0.9800
C14—H140.9500C44'—H44E0.9800
C15—H150.9500C44'—H44F0.9800
C16—H16A0.9800C45—C461.505 (6)
C16—H16B0.9800C45—H45A0.9900
C16—H16C0.9800C45—H45B0.9900
C17—C181.498 (6)C46—C471.544 (6)
C18—C191.348 (5)C46—H46A0.9900
C18—C201.491 (5)C46—H46B0.9900
C19—C261.461 (5)C47—C481.524 (7)
C19—H190.9500C47—H47A0.9900
C20—C211.378 (6)C47—H47B0.9900
C20—C251.392 (6)C48—H48A0.9800
C21—C221.387 (6)C48—H48B0.9800
C21—H210.9500C48—H48C0.9800
C22—C231.351 (8)C45'—C46'1.536 (8)
C22—H220.9500C45'—H45C0.9900
C23—C241.379 (8)C45'—H45D0.9900
C23—H230.9500C46'—C47'1.558 (8)
C24—C251.392 (6)C46'—H46C0.9900
C24—H240.9500C46'—H46D0.9900
C25—H250.9500C47'—C48'1.538 (8)
C26—C271.394 (5)C47'—H47C0.9900
C26—C311.403 (6)C47'—H47D0.9900
C27—C281.387 (6)C48'—H48D0.9800
C27—H270.9500C48'—H48E0.9800
C28—C291.369 (6)C48'—H48F0.9800
O7—Sn1—C33114.70 (16)C30—C31—C26120.8 (4)
O7—Sn1—C37108.72 (14)C30—C31—H31119.6
C33—Sn1—C37136.00 (18)C26—C31—H31119.6
O7—Sn1—O7i76.01 (10)O6—C32—H32A109.5
C33—Sn1—O7i96.21 (14)O6—C32—H32B109.5
C37—Sn1—O7i100.78 (13)H32A—C32—H32B109.5
O7—Sn1—O190.42 (10)O6—C32—H32C109.5
C33—Sn1—O183.25 (14)H32A—C32—H32C109.5
C37—Sn1—O189.80 (14)H32B—C32—H32C109.5
O7i—Sn1—O1164.87 (10)C34—C33—Sn1117.7 (3)
C45'—Sn2—O7102.2 (4)C34—C33—H33A107.9
C45'—Sn2—C41142.2 (4)Sn1—C33—H33A107.9
O7—Sn2—C41109.89 (13)C34—C33—H33B107.9
C45'—Sn2—C4522.9 (3)Sn1—C33—H33B107.9
O7—Sn2—C45113.78 (18)H33A—C33—H33B107.2
C41—Sn2—C45136.3 (2)C33—C34—C35115.0 (5)
C45'—Sn2—O4107.4 (3)C33—C34—H34A108.5
O7—Sn2—O482.66 (9)C35—C34—H34A108.5
C41—Sn2—O496.32 (13)C33—C34—H34B108.5
C45—Sn2—O488.76 (18)C35—C34—H34B108.5
C45'—Sn2—O275.4 (3)H34A—C34—H34B107.5
O7—Sn2—O291.50 (10)C34—C35—C36109.2 (6)
C41—Sn2—O284.11 (14)C34—C35—H35A109.8
C45—Sn2—O295.12 (19)C36—C35—H35A109.8
O4—Sn2—O2173.93 (10)C34—C35—H35B109.8
C45'—Sn2—O594.6 (4)C36—C35—H35B109.8
O7—Sn2—O5134.28 (9)H35A—C35—H35B108.3
C41—Sn2—O577.22 (13)C35—C36—H36A109.5
C45—Sn2—O572.33 (17)C35—C36—H36B109.5
O4—Sn2—O551.68 (9)H36A—C36—H36B109.5
O2—Sn2—O5134.06 (10)C35—C36—H36C109.5
C1—O1—Sn1132.3 (2)H36A—C36—H36C109.5
C1—O2—Sn2128.1 (3)H36B—C36—H36C109.5
C13—O3—C16116.6 (4)C38—C37—Sn1117.2 (3)
C17—O4—Sn2105.4 (2)C38—C37—H37A108.0
C17—O5—Sn280.5 (2)Sn1—C37—H37A108.0
C29—O6—C32117.0 (3)C38—C37—H37B108.0
Sn1—O7—Sn2132.27 (12)Sn1—C37—H37B108.0
Sn1—O7—Sn1i103.99 (10)H37A—C37—H37B107.2
Sn2—O7—Sn1i122.48 (11)C39—C38—C37115.5 (4)
O2—C1—O1124.0 (3)C39—C38—H38A108.4
O2—C1—C2120.1 (4)C37—C38—H38A108.4
O1—C1—C2115.9 (3)C39—C38—H38B108.4
C3—C2—C4124.5 (3)C37—C38—H38B108.4
C3—C2—C1118.8 (4)H38A—C38—H38B107.5
C4—C2—C1116.6 (3)C38—C39—C40115.0 (4)
C2—C3—C10128.8 (4)C38—C39—H39A108.5
C2—C3—H3115.6C40—C39—H39A108.5
C10—C3—H3115.6C38—C39—H39B108.5
C9—C4—C5118.4 (4)C40—C39—H39B108.5
C9—C4—C2121.6 (4)H39A—C39—H39B107.5
C5—C4—C2120.0 (4)C39—C40—H40A109.5
C4—C5—C6120.9 (5)C39—C40—H40B109.5
C4—C5—H5119.6H40A—C40—H40B109.5
C6—C5—H5119.6C39—C40—H40C109.5
C7—C6—C5119.0 (5)H40A—C40—H40C109.5
C7—C6—H6120.5H40B—C40—H40C109.5
C5—C6—H6120.5C42—C41—Sn2117.3 (3)
C8—C7—C6120.6 (5)C42—C41—H41A108.0
C8—C7—H7119.7Sn2—C41—H41A108.0
C6—C7—H7119.7C42—C41—H41B108.0
C7—C8—C9119.8 (5)Sn2—C41—H41B108.0
C7—C8—H8120.1H41A—C41—H41B107.2
C9—C8—H8120.1C41—C42—C43113.2 (4)
C4—C9—C8121.4 (5)C41—C42—H42A108.9
C4—C9—H9119.3C43—C42—H42A108.9
C8—C9—H9119.3C41—C42—H42B108.9
C11—C10—C15116.4 (4)C43—C42—H42B108.9
C11—C10—C3124.8 (4)H42A—C42—H42B107.7
C15—C10—C3118.8 (4)C44—C43—C42109.5 (7)
C12—C11—C10122.7 (4)C44—C43—H43A109.8
C12—C11—H11118.7C42—C43—H43A109.8
C10—C11—H11118.7C44—C43—H43B109.8
C11—C12—C13119.6 (4)C42—C43—H43B109.8
C11—C12—H12120.2H43A—C43—H43B108.2
C13—C12—H12120.2C43—C44—H44A109.5
O3—C13—C12124.0 (4)C43—C44—H44B109.5
O3—C13—C14116.7 (4)H44A—C44—H44B109.5
C12—C13—C14119.4 (4)C43—C44—H44C109.5
C15—C14—C13119.7 (4)H44A—C44—H44C109.5
C15—C14—H14120.2H44B—C44—H44C109.5
C13—C14—H14120.2H44D—C44'—H44E109.5
C14—C15—C10122.0 (4)H44D—C44'—H44F109.5
C14—C15—H15119.0H44E—C44'—H44F109.5
C10—C15—H15119.0C46—C45—Sn2119.5 (5)
O3—C16—H16A109.5C46—C45—H45A107.4
O3—C16—H16B109.5Sn2—C45—H45A107.4
H16A—C16—H16B109.5C46—C45—H45B107.4
O3—C16—H16C109.5Sn2—C45—H45B107.4
H16A—C16—H16C109.5H45A—C45—H45B107.0
H16B—C16—H16C109.5C45—C46—C47109.5 (5)
O5—C17—O4121.7 (4)C45—C46—H46A109.8
O5—C17—C18121.1 (4)C47—C46—H46A109.8
O4—C17—C18117.2 (3)C45—C46—H46B109.8
C19—C18—C20124.5 (4)C47—C46—H46B109.8
C19—C18—C17117.3 (4)H46A—C46—H46B108.2
C20—C18—C17118.2 (3)C48—C47—C46111.7 (6)
C18—C19—C26132.3 (4)C48—C47—H47A109.3
C18—C19—H19113.9C46—C47—H47A109.3
C26—C19—H19113.9C48—C47—H47B109.3
C21—C20—C25117.9 (4)C46—C47—H47B109.3
C21—C20—C18121.7 (4)H47A—C47—H47B107.9
C25—C20—C18120.4 (4)C47—C48—H48A109.5
C20—C21—C22121.2 (5)C47—C48—H48B109.5
C20—C21—H21119.4H48A—C48—H48B109.5
C22—C21—H21119.4C47—C48—H48C109.5
C23—C22—C21120.6 (5)H48A—C48—H48C109.5
C23—C22—H22119.7H48B—C48—H48C109.5
C21—C22—H22119.7C46'—C45'—Sn2120.3 (9)
C22—C23—C24119.6 (5)C46'—C45'—H45C107.3
C22—C23—H23120.2Sn2—C45'—H45C107.3
C24—C23—H23120.2C46'—C45'—H45D107.3
C23—C24—C25120.4 (5)Sn2—C45'—H45D107.3
C23—C24—H24119.8H45C—C45'—H45D106.9
C25—C24—H24119.8C45'—C46'—C47'110.0 (12)
C24—C25—C20120.2 (5)C45'—C46'—H46C109.7
C24—C25—H25119.9C47'—C46'—H46C109.7
C20—C25—H25119.9C45'—C46'—H46D109.7
C27—C26—C31116.4 (4)C47'—C46'—H46D109.7
C27—C26—C19118.0 (4)H46C—C46'—H46D108.2
C31—C26—C19125.6 (4)C46'—C47'—C48'115.1 (17)
C28—C27—C26122.9 (4)C46'—C47'—H47C108.5
C28—C27—H27118.6C48'—C47'—H47C108.5
C26—C27—H27118.6C46'—C47'—H47D108.5
C29—C28—C27119.2 (4)C48'—C47'—H47D108.5
C29—C28—H28120.4H47C—C47'—H47D107.5
C27—C28—H28120.4C47'—C48'—H48D109.5
C28—C29—O6125.2 (4)C47'—C48'—H48E109.5
C28—C29—C30119.6 (4)H48D—C48'—H48E109.5
O6—C29—C30115.2 (4)C47'—C48'—H48F109.5
C31—C30—C29121.1 (4)H48D—C48'—H48F109.5
C31—C30—H30119.4H48E—C48'—H48F109.5
C29—C30—H30119.4
O7—Sn1—O1—C139.1 (4)C11—C10—C15—C146.2 (6)
C33—Sn1—O1—C1153.9 (4)C3—C10—C15—C14174.1 (4)
C37—Sn1—O1—C169.6 (4)Sn2—O5—C17—O47.2 (4)
O7i—Sn1—O1—C165.1 (6)Sn2—O5—C17—C18172.2 (4)
C45'—Sn2—O2—C157.6 (5)Sn2—O4—C17—O59.3 (5)
O7—Sn2—O2—C144.7 (4)Sn2—O4—C17—C18170.2 (3)
C41—Sn2—O2—C1154.5 (4)O5—C17—C18—C195.2 (6)
C45—Sn2—O2—C169.4 (4)O4—C17—C18—C19174.3 (4)
O5—Sn2—O2—C1139.7 (3)O5—C17—C18—C20177.7 (4)
C45'—Sn2—O4—C1777.4 (5)O4—C17—C18—C202.8 (6)
O7—Sn2—O4—C17177.9 (3)C20—C18—C19—C262.4 (8)
C41—Sn2—O4—C1772.7 (3)C17—C18—C19—C26179.3 (4)
C45—Sn2—O4—C1763.8 (3)C19—C18—C20—C2170.6 (6)
O5—Sn2—O4—C174.5 (2)C17—C18—C20—C21106.3 (5)
C45'—Sn2—O5—C17104.0 (4)C19—C18—C20—C25108.3 (5)
O7—Sn2—O5—C178.0 (3)C17—C18—C20—C2574.8 (5)
C41—Sn2—O5—C17113.4 (3)C25—C20—C21—C221.8 (6)
C45—Sn2—O5—C1798.3 (3)C18—C20—C21—C22177.1 (4)
O4—Sn2—O5—C174.6 (2)C20—C21—C22—C230.9 (7)
O2—Sn2—O5—C17178.0 (3)C21—C22—C23—C240.3 (8)
C33—Sn1—O7—Sn2102.5 (2)C22—C23—C24—C250.7 (8)
C37—Sn1—O7—Sn270.2 (2)C23—C24—C25—C200.3 (7)
O7i—Sn1—O7—Sn2167.0 (3)C21—C20—C25—C241.5 (6)
O1—Sn1—O7—Sn219.75 (18)C18—C20—C25—C24177.5 (4)
C33—Sn1—O7—Sn1i90.46 (16)C18—C19—C26—C27171.5 (5)
C37—Sn1—O7—Sn1i96.84 (15)C18—C19—C26—C319.9 (8)
O7i—Sn1—O7—Sn1i0.0C31—C26—C27—C281.2 (7)
O1—Sn1—O7—Sn1i173.22 (12)C19—C26—C27—C28180.0 (4)
C45'—Sn2—O7—Sn171.6 (4)C26—C27—C28—C290.5 (7)
C41—Sn2—O7—Sn188.0 (2)C27—C28—C29—O6178.8 (4)
C45—Sn2—O7—Sn192.5 (2)C27—C28—C29—C300.1 (7)
O4—Sn2—O7—Sn1177.88 (19)C32—O6—C29—C280.2 (6)
O2—Sn2—O7—Sn13.75 (19)C32—O6—C29—C30178.7 (4)
O5—Sn2—O7—Sn1179.42 (13)C28—C29—C30—C310.1 (7)
C45'—Sn2—O7—Sn1i123.3 (4)O6—C29—C30—C31179.1 (4)
C41—Sn2—O7—Sn1i77.00 (18)C29—C30—C31—C261.0 (7)
C45—Sn2—O7—Sn1i102.5 (2)C27—C26—C31—C301.5 (7)
O4—Sn2—O7—Sn1i17.09 (14)C19—C26—C31—C30179.9 (4)
O2—Sn2—O7—Sn1i161.28 (15)O7—Sn1—C33—C3439.5 (5)
O5—Sn2—O7—Sn1i14.4 (2)C37—Sn1—C33—C34130.5 (4)
Sn2—O2—C1—O140.3 (6)O7i—Sn1—C33—C34117.0 (4)
Sn2—O2—C1—C2140.2 (3)O1—Sn1—C33—C3447.8 (4)
Sn1—O1—C1—O212.5 (6)Sn1—C33—C34—C35172.1 (5)
Sn1—O1—C1—C2167.0 (3)C33—C34—C35—C36176.4 (6)
O2—C1—C2—C316.2 (6)O7—Sn1—C37—C3882.1 (3)
O1—C1—C2—C3163.4 (4)C33—Sn1—C37—C38107.5 (4)
O2—C1—C2—C4166.4 (4)O7i—Sn1—C37—C383.4 (3)
O1—C1—C2—C414.0 (5)O1—Sn1—C37—C38172.5 (3)
C4—C2—C3—C100.6 (7)Sn1—C37—C38—C39178.5 (4)
C1—C2—C3—C10176.6 (4)C37—C38—C39—C40177.2 (5)
C3—C2—C4—C967.7 (6)C45'—Sn2—C41—C42107.2 (7)
C1—C2—C4—C9109.6 (4)O7—Sn2—C41—C4239.2 (4)
C3—C2—C4—C5109.8 (5)C45—Sn2—C41—C42141.5 (4)
C1—C2—C4—C572.9 (5)O4—Sn2—C41—C42123.7 (3)
C9—C4—C5—C60.8 (6)O2—Sn2—C41—C4250.3 (4)
C2—C4—C5—C6176.8 (4)O5—Sn2—C41—C42172.0 (4)
C4—C5—C6—C71.0 (7)Sn2—C41—C42—C43175.4 (4)
C5—C6—C7—C80.9 (8)C41—C42—C43—C44172.3 (7)
C6—C7—C8—C90.5 (8)C45'—Sn2—C45—C466.1 (10)
C5—C4—C9—C80.4 (6)O7—Sn2—C45—C4657.3 (5)
C2—C4—C9—C8177.1 (4)C41—Sn2—C45—C46123.4 (5)
C7—C8—C9—C40.3 (7)O4—Sn2—C45—C46138.7 (5)
C2—C3—C10—C1125.0 (7)O2—Sn2—C45—C4636.6 (5)
C2—C3—C10—C15155.3 (4)O5—Sn2—C45—C46171.3 (5)
C15—C10—C11—C124.3 (6)Sn2—C45—C46—C47175.8 (5)
C3—C10—C11—C12176.0 (4)C45—C46—C47—C48174.7 (7)
C10—C11—C12—C130.7 (6)O7—Sn2—C45'—C46'106.5 (11)
C16—O3—C13—C123.4 (6)C41—Sn2—C45'—C46'105.8 (11)
C16—O3—C13—C14177.2 (4)C45—Sn2—C45'—C46'16.7 (9)
C11—C12—C13—O3176.5 (4)O4—Sn2—C45'—C46'20.4 (12)
C11—C12—C13—C144.1 (6)O2—Sn2—C45'—C46'165.2 (12)
O3—C13—C14—C15178.4 (4)O5—Sn2—C45'—C46'30.8 (11)
C12—C13—C14—C152.2 (6)Sn2—C45'—C46'—C47'164.4 (10)
C13—C14—C15—C103.1 (6)C45'—C46'—C47'—C48'67.3 (18)
Symmetry code: (i) x+1, y+1, z+2.
 

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