Literature DB >> 21754636

catena-Poly[[tribenzyl-tin(IV)]-μ-(E)-3-phenyl-prop-2-enoato-κO:O'].

Kong Mun Lo1, Seik Weng Ng.   

Abstract

The Sn(IV) atom in the title carboxyl-ate-bridged polymer, [Sn(C(7)H(7))(3)(C(9)H(7)O(2))](n), exists in a trans-C(3)SnO(2) trigonal-bipyramidal geometry (average covalent Sn-O = 2.167 Å, average dative Sn-O = 2.361 Å and average O-Sn-O = 169.6°). The polymer propagates as a helical chain along the b axis with a repeat distance that is half the b-axial length. There are four independent formula units in the asymmetric unit; two are disposed about a false center of inversion with respect to the other two so that the space group emulates a centric space group.

Entities:  

Year:  2011        PMID: 21754636      PMCID: PMC3120586          DOI: 10.1107/S1600536811017247

Source DB:  PubMed          Journal:  Acta Crystallogr Sect E Struct Rep Online        ISSN: 1600-5368


Related literature

Trialkyl­tin(IV) carboxyl­ates generally contain five-coordinate Sn atoms and are carboxylate-bridged polymers; see: Ng et al. (1988 ▶). For the structure of tribenzyl­tin acetate, see: Ferguson et al. (1995 ▶). For the structure of tribenzyl­tin p-nitro­cinnamate, see: Thong et al. (2008 ▶). For the use of the Hooft and Flack parameters in confirming the P21 space-group description, see: Hooft et al. (2008 ▶); Spek (2009 ▶). The polar P21 space group is sometimes assigned incorrectly, see: Clemente & Marzotto (2003 ▶, 2004 ▶).

Experimental

Crystal data

[Sn(C7H7)3(C9H7O2)] M = 539.21 Monoclinic, a = 19.5847 (3) Å b = 10.2404 (2) Å c = 26.6224 (4) Å β = 110.2838 (8)° V = 5008.15 (15) Å3 Z = 8 Mo Kα radiation μ = 1.04 mm−1 T = 100 K 0.20 × 0.10 × 0.10 mm

Data collection

Bruker SMART APEX diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.818, T max = 0.903 47886 measured reflections 22492 independent reflections 19107 reflections with I > 2σ(I) R int = 0.049

Refinement

R[F 2 > 2σ(F 2)] = 0.042 wR(F 2) = 0.087 S = 0.97 22492 reflections 1189 parameters 1 restraint H-atom parameters constrained Δρmax = 0.83 e Å−3 Δρmin = −0.79 e Å−3 Absolute structure: Flack (1983 ▶), 10328 Friedel pairs Flack parameter: 0.00 (2) Data collection: APEX2 (Bruker, 2009 ▶); cell refinement: SAINT (Bruker, 2009 ▶); 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, 2010 ▶). Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536811017247/si2355sup1.cif Structure factors: contains datablocks I. DOI: 10.1107/S1600536811017247/si2355Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
[Sn(C7H7)3(C9H7O2)]F(000) = 2192
Mr = 539.21Dx = 1.430 Mg m3
Monoclinic, P21Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2ybCell parameters from 8518 reflections
a = 19.5847 (3) Åθ = 2.3–24.6°
b = 10.2404 (2) ŵ = 1.04 mm1
c = 26.6224 (4) ÅT = 100 K
β = 110.2838 (8)°Block, colorless
V = 5008.15 (15) Å30.20 × 0.10 × 0.10 mm
Z = 8
Bruker SMART APEX diffractometer22492 independent reflections
Radiation source: fine-focus sealed tube19107 reflections with I > 2σ(I)
graphiteRint = 0.049
ω scansθmax = 27.5°, θmin = 0.8°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)h = −25→25
Tmin = 0.818, Tmax = 0.903k = −13→13
47886 measured reflectionsl = −34→34
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.042H-atom parameters constrained
wR(F2) = 0.087w = 1/[σ2(Fo2) + (0.0349P)2] where P = (Fo2 + 2Fc2)/3
S = 0.97(Δ/σ)max = 0.001
22492 reflectionsΔρmax = 0.83 e Å3
1189 parametersΔρmin = −0.79 e Å3
1 restraintAbsolute structure: Flack (1983), 10328 Friedel pairs
Primary atom site location: structure-invariant direct methodsFlack parameter: 0.00 (2)
xyzUiso*/Ueq
Sn10.494183 (19)0.50003 (3)0.024475 (14)0.01855 (8)
Sn20.473268 (18)0.73095 (3)0.477818 (12)0.01602 (7)
Sn30.028304 (19)0.67354 (3)0.517422 (13)0.01674 (8)
Sn40.005351 (19)0.96457 (3)0.977122 (13)0.01520 (8)
O10.4760 (2)0.6546 (3)0.07388 (13)0.0221 (8)
O20.4912 (2)0.8102 (4)0.02052 (14)0.0229 (8)
O30.41043 (19)0.8820 (3)0.42395 (13)0.0203 (8)
O40.47228 (19)1.0424 (3)0.47598 (13)0.0193 (8)
O50.09833 (19)0.5343 (3)0.57185 (13)0.0209 (8)
O60.0365 (2)0.3609 (4)0.52990 (14)0.0230 (8)
O70.01843 (19)0.8125 (3)0.92420 (13)0.0190 (8)
O80.00660 (19)0.6558 (4)0.97772 (12)0.0202 (8)
C10.6043 (3)0.5568 (5)0.0369 (3)0.0340 (15)
H1A0.60840.58000.00200.041*
H1B0.61620.63560.05990.041*
C20.6588 (3)0.4511 (5)0.0628 (2)0.0232 (12)
C30.6710 (4)0.4125 (8)0.1158 (3)0.0452 (19)
H30.64690.45620.13640.054*
C40.7182 (4)0.3103 (9)0.1379 (3)0.059 (2)
H40.72460.28240.17330.070*
C50.7559 (4)0.2487 (6)0.1100 (3)0.0441 (18)
H50.78870.17980.12590.053*
C60.7456 (4)0.2872 (6)0.0598 (3)0.0368 (15)
H60.77260.24650.04050.044*
C70.6965 (3)0.3852 (5)0.0354 (2)0.0286 (13)
H70.68870.4074−0.00080.034*
C80.4075 (3)0.5580 (5)−0.0464 (2)0.0246 (12)
H8A0.38760.6422−0.03940.030*
H8B0.42760.5727−0.07530.030*
C90.3466 (3)0.4614 (5)−0.0655 (2)0.0235 (12)
C100.3005 (3)0.4389 (5)−0.0364 (3)0.0299 (14)
H100.30880.4844−0.00370.036*
C110.2438 (3)0.3526 (6)−0.0539 (3)0.0399 (16)
H110.21340.3382−0.03330.048*
C120.2307 (4)0.2866 (6)−0.1016 (3)0.054 (2)
H120.19100.2277−0.11400.064*
C130.2759 (4)0.3064 (7)−0.1316 (3)0.0476 (18)
H130.26760.2608−0.16430.057*
C140.3328 (4)0.3931 (6)−0.1128 (3)0.0338 (15)
H140.36370.4065−0.13310.041*
C150.4723 (3)0.3541 (5)0.0752 (2)0.0249 (12)
H15A0.42360.31740.05560.030*
H15B0.50790.28260.07940.030*
C160.4741 (3)0.3910 (5)0.1306 (2)0.0205 (11)
C170.4169 (3)0.4589 (5)0.1382 (2)0.0234 (12)
H170.37630.48410.10800.028*
C180.4183 (3)0.4900 (5)0.1887 (2)0.0259 (12)
H180.37790.53400.19290.031*
C190.4764 (4)0.4590 (6)0.2329 (2)0.0342 (14)
H190.47750.48380.26760.041*
C200.5333 (4)0.3916 (6)0.2266 (2)0.0355 (14)
H200.57380.36760.25710.043*
C210.5321 (3)0.3580 (6)0.1756 (2)0.0311 (13)
H210.57210.31160.17180.037*
C220.4771 (3)0.7744 (5)0.0616 (2)0.0207 (12)
C230.4620 (3)0.8704 (5)0.0971 (2)0.0230 (12)
H230.46090.96050.08820.028*
C240.4498 (3)0.8353 (5)0.1416 (2)0.0196 (11)
H240.45050.74430.14870.024*
C250.4353 (3)0.9221 (5)0.1807 (2)0.0185 (11)
C260.4330 (3)0.8699 (6)0.2287 (2)0.0265 (12)
H260.44140.77920.23560.032*
C270.4188 (3)0.9474 (5)0.2661 (2)0.0274 (13)
H270.41740.91030.29850.033*
C280.4065 (3)1.0788 (5)0.2565 (2)0.0248 (12)
H280.39591.13230.28200.030*
C290.4094 (3)1.1328 (5)0.2102 (2)0.0293 (13)
H290.40161.22390.20390.035*
C300.4236 (3)1.0553 (5)0.1727 (2)0.0269 (13)
H300.42551.09380.14070.032*
C310.4127 (3)0.5818 (5)0.4236 (2)0.0247 (12)
H31A0.44680.53360.41040.030*
H31B0.39420.51930.44420.030*
C320.3498 (3)0.6254 (4)0.3762 (2)0.0201 (11)
C330.3584 (3)0.6618 (6)0.32802 (19)0.0274 (12)
H330.40510.65450.32490.033*
C340.3016 (4)0.7078 (6)0.2854 (2)0.0386 (16)
H340.30960.73370.25360.046*
C350.2325 (3)0.7166 (5)0.2882 (2)0.0320 (14)
H350.19300.74810.25860.038*
C360.2216 (3)0.6789 (6)0.3348 (2)0.0295 (12)
H360.17440.68310.33730.035*
C370.2801 (3)0.6352 (5)0.3778 (2)0.0227 (12)
H370.27210.61090.40980.027*
C380.4420 (3)0.7885 (5)0.5446 (2)0.0228 (11)
H38A0.48600.81850.57400.027*
H38B0.40820.86350.53360.027*
C390.4064 (3)0.6834 (5)0.56550 (19)0.0190 (11)
C400.3371 (3)0.6403 (5)0.5355 (2)0.0233 (12)
H400.31210.68020.50190.028*
C410.3034 (3)0.5407 (5)0.5532 (2)0.0289 (13)
H410.25630.51160.53140.035*
C420.3376 (3)0.4838 (5)0.6021 (2)0.0292 (13)
H420.31450.41570.61440.035*
C430.4055 (3)0.5260 (5)0.6331 (2)0.0288 (13)
H430.42940.48750.66710.035*
C440.4395 (3)0.6249 (5)0.6149 (2)0.0235 (12)
H440.48660.65310.63690.028*
C450.5767 (3)0.7892 (5)0.4745 (2)0.0188 (11)
H45A0.57200.87790.45880.023*
H45B0.61230.79390.51140.023*
C460.6058 (3)0.6986 (4)0.4421 (2)0.0200 (11)
C470.5753 (3)0.6973 (5)0.3862 (2)0.0274 (13)
H470.53450.75130.36880.033*
C480.6036 (4)0.6189 (6)0.3561 (2)0.0339 (15)
H480.58150.61870.31820.041*
C490.6631 (4)0.5412 (6)0.3802 (2)0.0359 (15)
H490.68320.48940.35910.043*
C500.6932 (3)0.5396 (5)0.4352 (2)0.0323 (14)
H500.73360.48440.45230.039*
C510.6652 (3)0.6174 (5)0.4658 (2)0.0255 (12)
H510.68690.61540.50370.031*
C520.4226 (3)1.0026 (5)0.43487 (18)0.0173 (10)
C530.3748 (3)1.0960 (5)0.3960 (2)0.0209 (12)
H530.38681.18630.40000.025*
C540.3165 (3)1.0594 (5)0.35629 (19)0.0186 (11)
H540.30710.96810.35370.022*
C550.2638 (3)1.1401 (5)0.3153 (2)0.0197 (11)
C560.2761 (3)1.2723 (5)0.3087 (2)0.0246 (13)
H560.31991.31270.33070.030*
C570.2234 (4)1.3452 (6)0.2693 (2)0.0369 (16)
H570.23161.43510.26470.044*
C580.1606 (4)1.2879 (7)0.2376 (2)0.0394 (17)
H580.12551.33810.21090.047*
C590.1474 (3)1.1582 (7)0.2438 (2)0.0391 (16)
H590.10301.11910.22210.047*
C600.1993 (3)1.0849 (6)0.2821 (2)0.0286 (13)
H600.19050.99470.28570.034*
C610.0888 (3)0.8352 (5)0.5635 (2)0.0232 (12)
H61A0.11130.88240.54070.028*
H61B0.05340.89560.57010.028*
C620.1474 (3)0.8092 (5)0.6162 (2)0.0187 (11)
C630.2155 (3)0.7625 (5)0.6187 (2)0.0227 (12)
H630.22430.74600.58640.027*
C640.2702 (3)0.7397 (5)0.6669 (2)0.0258 (12)
H640.31630.70880.66760.031*
C650.2581 (3)0.7618 (5)0.7140 (2)0.0292 (14)
H650.29510.74430.74740.035*
C660.1910 (3)0.8099 (6)0.7120 (2)0.0357 (14)
H660.18270.82800.74440.043*
C670.1363 (3)0.8318 (5)0.6637 (2)0.0251 (12)
H670.09040.86290.66320.030*
C68−0.0718 (3)0.6155 (5)0.5268 (2)0.0214 (11)
H68A−0.11000.60920.49090.026*
H68B−0.06540.52750.54320.026*
C69−0.0970 (3)0.7083 (4)0.5609 (2)0.0213 (12)
C70−0.0571 (3)0.7209 (6)0.6152 (2)0.0266 (12)
H70−0.01230.67540.63000.032*
C71−0.0816 (3)0.7986 (6)0.6478 (2)0.0310 (14)
H71−0.05400.80480.68490.037*
C72−0.1456 (3)0.8671 (6)0.6268 (2)0.0327 (14)
H72−0.16200.92100.64930.039*
C73−0.1860 (3)0.8574 (6)0.5729 (2)0.0355 (15)
H73−0.23030.90450.55830.043*
C74−0.1613 (3)0.7780 (5)0.5399 (2)0.0259 (13)
H74−0.18890.77190.50280.031*
C750.0512 (3)0.6192 (5)0.44671 (19)0.0213 (11)
H75A0.08340.54180.45490.026*
H75B0.00510.59440.41820.026*
C760.0868 (3)0.7266 (5)0.42624 (19)0.0206 (11)
C770.0490 (3)0.7940 (5)0.3790 (2)0.0220 (12)
H770.00050.76950.35880.026*
C780.0817 (3)0.8971 (5)0.3613 (2)0.0283 (13)
H780.05570.94120.32890.034*
C790.1511 (3)0.9339 (5)0.3908 (2)0.0254 (13)
H790.17241.00630.37940.030*
C800.1908 (3)0.8678 (5)0.4368 (2)0.0266 (12)
H800.23970.89210.45640.032*
C810.1583 (3)0.7657 (5)0.4541 (2)0.0269 (13)
H810.18550.72060.48590.032*
C820.0870 (3)0.4108 (5)0.5670 (2)0.0192 (11)
C830.1389 (3)0.3275 (5)0.6085 (2)0.0197 (11)
H830.13270.23540.60620.024*
C840.1945 (3)0.3780 (5)0.6491 (2)0.0215 (11)
H840.19820.47050.64970.026*
C850.2497 (3)0.3101 (5)0.6923 (2)0.0215 (11)
C860.3104 (3)0.3805 (5)0.7234 (2)0.0222 (11)
H860.31300.47120.71680.027*
C870.3672 (3)0.3224 (5)0.7637 (2)0.0266 (13)
H870.40870.37190.78370.032*
C880.3628 (3)0.1911 (6)0.7745 (2)0.0299 (14)
H880.40140.15040.80210.036*
C890.3017 (3)0.1181 (6)0.7448 (2)0.0309 (13)
H890.29840.02860.75300.037*
C900.2466 (3)0.1755 (6)0.70375 (19)0.0233 (11)
H900.20610.12470.68290.028*
C91−0.1039 (3)0.9099 (5)0.9703 (2)0.0185 (11)
H91A−0.11490.82200.95400.022*
H91B−0.10740.90561.00650.022*
C92−0.1584 (3)1.0044 (5)0.9372 (2)0.0211 (11)
C93−0.1720 (3)1.0147 (6)0.8833 (2)0.0308 (14)
H93−0.14730.95790.86710.037*
C94−0.2202 (4)1.1044 (7)0.8519 (2)0.0369 (16)
H94−0.22861.10850.81460.044*
C95−0.2562 (3)1.1883 (6)0.8745 (2)0.0325 (14)
H95−0.28861.25190.85300.039*
C96−0.2451 (3)1.1797 (6)0.9285 (2)0.0275 (12)
H96−0.27061.23590.94430.033*
C97−0.1961 (3)1.0882 (5)0.9599 (2)0.0256 (12)
H97−0.18821.08260.99710.031*
C980.0961 (3)0.9066 (5)1.0462 (2)0.0240 (12)
H98A0.07830.88671.07590.029*
H98B0.11740.82551.03760.029*
C990.1547 (3)1.0089 (5)1.0646 (2)0.0205 (11)
C1000.1679 (3)1.0771 (6)1.1124 (2)0.0279 (13)
H1000.13971.05941.13440.034*
C1010.2226 (3)1.1710 (6)1.1278 (2)0.0376 (15)
H1010.23241.21511.16100.045*
C1020.2626 (3)1.2015 (6)1.0962 (3)0.0395 (16)
H1020.29811.26881.10640.047*
C1030.2507 (3)1.1338 (6)1.0499 (2)0.0364 (15)
H1030.27961.15191.02850.044*
C1040.1969 (3)1.0384 (6)1.0336 (2)0.0297 (13)
H1040.18890.99311.00090.036*
C1050.0206 (3)1.1114 (5)0.92432 (19)0.0197 (11)
H10A−0.02041.17360.91640.024*
H10B0.06551.16030.94420.024*
C1060.0264 (3)1.0695 (5)0.8717 (2)0.0184 (11)
C1070.0906 (3)1.0169 (5)0.8689 (2)0.0214 (11)
H1070.13141.00730.90090.026*
C1080.0966 (3)0.9781 (5)0.8207 (2)0.0290 (13)
H1080.14110.94380.81960.035*
C1090.0365 (4)0.9903 (6)0.7740 (2)0.0333 (14)
H1090.03970.96310.74080.040*
C110−0.0274 (4)1.0413 (6)0.7757 (2)0.0343 (14)
H110−0.06841.04920.74370.041*
C111−0.0321 (3)1.0813 (5)0.8239 (2)0.0256 (12)
H111−0.07641.11780.82450.031*
C1120.0173 (3)0.6923 (5)0.9362 (2)0.0186 (11)
C1130.0302 (3)0.5973 (5)0.89888 (19)0.0207 (11)
H1130.02910.50680.90630.025*
C1140.0434 (3)0.6336 (5)0.85527 (18)0.0171 (10)
H1140.04200.72480.84840.021*
C1150.0600 (3)0.5495 (5)0.8165 (2)0.0209 (11)
C1160.0818 (3)0.6041 (6)0.7767 (2)0.0288 (13)
H1160.08330.69640.77370.035*
C1170.1014 (3)0.5260 (6)0.7412 (2)0.0336 (14)
H1170.11690.56510.71460.040*
C1180.0984 (3)0.3923 (6)0.7444 (2)0.0283 (13)
H1180.11140.33910.72000.034*
C1190.0764 (4)0.3354 (5)0.7832 (2)0.0370 (16)
H1190.07440.24300.78560.044*
C1200.0571 (4)0.4140 (5)0.8189 (2)0.0334 (15)
H1200.04160.37430.84540.040*
U11U22U33U12U13U23
Sn10.02054 (19)0.01135 (17)0.02684 (18)−0.00035 (15)0.01212 (16)−0.00068 (14)
Sn20.01615 (18)0.01263 (15)0.01848 (17)−0.00024 (14)0.00497 (14)0.00100 (14)
Sn30.01770 (18)0.01492 (16)0.01692 (16)−0.00074 (15)0.00515 (14)0.00023 (14)
Sn40.01741 (19)0.01094 (17)0.01841 (17)0.00012 (13)0.00769 (15)−0.00003 (13)
O10.033 (2)0.0103 (19)0.0251 (19)−0.0041 (16)0.0131 (17)−0.0019 (15)
O20.030 (2)0.012 (2)0.032 (2)0.0001 (16)0.0175 (18)0.0019 (15)
O30.022 (2)0.0082 (17)0.0250 (19)0.0011 (14)0.0010 (16)−0.0017 (14)
O40.021 (2)0.0164 (18)0.0198 (18)−0.0020 (15)0.0057 (16)−0.0016 (14)
O50.025 (2)0.0141 (19)0.0193 (18)−0.0006 (15)0.0021 (16)−0.0014 (14)
O60.023 (2)0.0195 (19)0.0224 (19)−0.0011 (15)0.0025 (16)−0.0008 (15)
O70.029 (2)0.0096 (18)0.0227 (18)0.0011 (15)0.0146 (16)0.0020 (14)
O80.026 (2)0.017 (2)0.0214 (18)−0.0013 (16)0.0129 (17)0.0032 (15)
C10.026 (3)0.016 (3)0.063 (4)−0.003 (2)0.019 (3)−0.006 (3)
C20.019 (3)0.021 (3)0.029 (3)−0.011 (2)0.008 (3)−0.005 (2)
C30.024 (4)0.084 (6)0.029 (4)−0.008 (3)0.011 (3)−0.017 (3)
C40.033 (4)0.113 (7)0.022 (3)−0.014 (4)0.000 (3)0.021 (4)
C50.026 (4)0.038 (4)0.053 (4)−0.009 (3)−0.006 (3)0.014 (3)
C60.038 (4)0.029 (3)0.038 (4)0.000 (3)0.006 (3)−0.008 (3)
C70.034 (4)0.023 (3)0.033 (3)0.003 (3)0.017 (3)0.000 (2)
C80.025 (3)0.022 (3)0.028 (3)0.003 (2)0.010 (3)0.002 (2)
C90.029 (3)0.015 (3)0.028 (3)0.003 (2)0.012 (3)0.003 (2)
C100.026 (3)0.032 (3)0.036 (3)0.004 (2)0.015 (3)0.005 (2)
C110.029 (4)0.040 (4)0.053 (4)0.002 (3)0.016 (3)0.016 (3)
C120.024 (4)0.024 (3)0.099 (6)−0.009 (3)0.004 (4)0.001 (4)
C130.036 (4)0.038 (4)0.061 (5)−0.004 (3)0.008 (4)−0.022 (4)
C140.028 (4)0.040 (4)0.037 (4)−0.004 (3)0.015 (3)−0.009 (3)
C150.031 (3)0.013 (3)0.031 (3)0.003 (2)0.012 (3)0.002 (2)
C160.024 (3)0.015 (3)0.024 (3)−0.003 (2)0.011 (2)0.004 (2)
C170.025 (3)0.013 (2)0.030 (3)−0.003 (2)0.008 (2)0.002 (2)
C180.028 (3)0.017 (3)0.037 (3)−0.005 (2)0.017 (3)−0.002 (2)
C190.047 (4)0.031 (3)0.029 (3)−0.016 (3)0.019 (3)−0.007 (3)
C200.032 (4)0.046 (4)0.026 (3)−0.001 (3)0.006 (3)0.001 (3)
C210.028 (3)0.031 (3)0.037 (3)0.005 (2)0.014 (3)0.004 (3)
C220.019 (3)0.019 (3)0.025 (3)−0.003 (2)0.008 (2)−0.002 (2)
C230.024 (3)0.011 (3)0.039 (3)−0.004 (2)0.018 (3)−0.006 (2)
C240.019 (3)0.011 (2)0.029 (3)−0.001 (2)0.007 (2)0.000 (2)
C250.017 (3)0.014 (3)0.025 (3)0.000 (2)0.007 (2)−0.001 (2)
C260.024 (3)0.024 (3)0.034 (3)−0.002 (2)0.013 (2)0.002 (2)
C270.031 (3)0.030 (3)0.026 (3)−0.005 (2)0.016 (3)0.000 (2)
C280.026 (3)0.025 (3)0.025 (3)−0.002 (2)0.011 (2)−0.011 (2)
C290.040 (4)0.019 (3)0.029 (3)0.002 (2)0.011 (3)−0.003 (2)
C300.042 (4)0.021 (3)0.021 (3)0.005 (2)0.015 (3)0.003 (2)
C310.023 (3)0.018 (3)0.027 (3)−0.004 (2)0.002 (2)0.000 (2)
C320.018 (3)0.011 (2)0.028 (3)−0.0044 (19)0.003 (2)−0.005 (2)
C330.026 (3)0.035 (3)0.022 (3)−0.007 (3)0.009 (2)−0.009 (3)
C340.050 (4)0.043 (4)0.017 (3)−0.022 (3)0.003 (3)−0.002 (2)
C350.036 (4)0.019 (3)0.027 (3)−0.009 (3)−0.008 (3)−0.002 (2)
C360.023 (3)0.032 (3)0.027 (3)0.005 (3)0.002 (2)−0.010 (3)
C370.021 (3)0.026 (3)0.020 (3)−0.005 (2)0.006 (2)0.000 (2)
C380.023 (3)0.019 (3)0.025 (3)−0.005 (2)0.006 (2)0.002 (2)
C390.019 (3)0.019 (2)0.022 (2)0.004 (2)0.011 (2)0.001 (2)
C400.017 (3)0.028 (3)0.025 (3)0.006 (2)0.007 (2)0.003 (2)
C410.018 (3)0.034 (3)0.039 (3)−0.003 (2)0.015 (3)−0.003 (3)
C420.030 (3)0.024 (3)0.039 (3)0.002 (2)0.019 (3)0.003 (2)
C430.036 (3)0.029 (3)0.028 (3)0.005 (3)0.020 (3)0.008 (2)
C440.016 (3)0.029 (3)0.026 (3)0.000 (2)0.008 (2)−0.001 (2)
C450.015 (3)0.018 (2)0.023 (3)−0.001 (2)0.007 (2)0.002 (2)
C460.025 (3)0.010 (3)0.025 (3)−0.0059 (19)0.009 (2)−0.0044 (18)
C470.029 (3)0.023 (3)0.030 (3)−0.002 (2)0.010 (3)−0.003 (2)
C480.039 (4)0.035 (3)0.028 (3)−0.010 (3)0.014 (3)−0.008 (3)
C490.047 (4)0.026 (3)0.045 (4)0.006 (3)0.029 (3)−0.004 (3)
C500.035 (3)0.025 (3)0.044 (3)0.010 (3)0.022 (3)0.009 (3)
C510.028 (3)0.024 (3)0.028 (3)0.004 (2)0.015 (3)0.007 (2)
C520.018 (3)0.019 (2)0.017 (2)0.002 (2)0.008 (2)0.002 (2)
C530.030 (3)0.013 (2)0.025 (3)0.004 (2)0.016 (3)−0.002 (2)
C540.025 (3)0.014 (2)0.017 (3)−0.001 (2)0.007 (2)0.0006 (19)
C550.022 (3)0.019 (3)0.020 (3)0.005 (2)0.010 (2)0.003 (2)
C560.032 (3)0.018 (3)0.026 (3)0.009 (2)0.014 (3)0.004 (2)
C570.064 (5)0.019 (3)0.035 (3)0.020 (3)0.027 (3)0.009 (3)
C580.042 (4)0.050 (4)0.034 (3)0.030 (3)0.022 (3)0.020 (3)
C590.030 (3)0.062 (5)0.023 (3)0.013 (3)0.007 (3)0.002 (3)
C600.035 (4)0.031 (3)0.021 (3)0.002 (3)0.010 (3)0.003 (2)
C610.022 (3)0.017 (3)0.025 (3)−0.001 (2)0.000 (2)0.003 (2)
C620.027 (3)0.011 (2)0.017 (3)−0.008 (2)0.007 (2)−0.0025 (19)
C630.023 (3)0.027 (3)0.020 (3)−0.001 (2)0.009 (2)−0.001 (2)
C640.022 (3)0.019 (2)0.033 (3)0.000 (2)0.005 (2)−0.004 (2)
C650.024 (3)0.033 (4)0.020 (3)−0.004 (2)−0.006 (2)0.002 (2)
C660.031 (3)0.057 (4)0.022 (3)−0.006 (3)0.013 (3)−0.008 (3)
C670.015 (3)0.035 (3)0.023 (3)0.001 (2)0.003 (2)−0.002 (2)
C680.026 (3)0.017 (3)0.022 (3)0.000 (2)0.010 (2)−0.002 (2)
C690.022 (3)0.016 (3)0.029 (3)−0.0063 (19)0.014 (2)−0.001 (2)
C700.026 (3)0.027 (3)0.025 (3)−0.006 (2)0.008 (2)0.000 (2)
C710.035 (4)0.035 (3)0.024 (3)−0.010 (3)0.013 (3)−0.005 (3)
C720.040 (4)0.029 (3)0.038 (3)−0.008 (3)0.026 (3)−0.011 (3)
C730.032 (4)0.035 (3)0.047 (4)0.009 (3)0.024 (3)0.000 (3)
C740.030 (4)0.026 (3)0.022 (3)−0.004 (2)0.010 (3)−0.006 (2)
C750.024 (3)0.021 (3)0.021 (3)0.001 (2)0.010 (2)0.000 (2)
C760.026 (3)0.018 (2)0.019 (2)0.003 (2)0.009 (2)−0.006 (2)
C770.022 (3)0.028 (3)0.018 (3)0.003 (2)0.009 (2)0.002 (2)
C780.035 (3)0.022 (3)0.031 (3)0.010 (2)0.015 (3)0.007 (2)
C790.040 (4)0.016 (3)0.029 (3)−0.003 (2)0.023 (3)−0.001 (2)
C800.027 (3)0.028 (3)0.029 (3)−0.002 (2)0.015 (2)−0.002 (2)
C810.033 (4)0.026 (3)0.026 (3)0.009 (2)0.016 (3)0.005 (2)
C820.018 (3)0.024 (3)0.016 (3)0.000 (2)0.007 (2)−0.002 (2)
C830.017 (3)0.018 (3)0.023 (3)−0.001 (2)0.006 (2)−0.001 (2)
C840.025 (3)0.015 (3)0.028 (3)0.002 (2)0.013 (2)0.003 (2)
C850.019 (3)0.026 (3)0.022 (3)0.004 (2)0.009 (2)0.002 (2)
C860.017 (3)0.022 (3)0.025 (3)−0.002 (2)0.006 (2)0.003 (2)
C870.020 (3)0.034 (3)0.023 (3)−0.002 (2)0.005 (2)0.001 (2)
C880.028 (3)0.035 (4)0.026 (3)0.012 (2)0.009 (2)0.006 (2)
C890.036 (4)0.027 (3)0.032 (3)0.006 (3)0.015 (3)0.012 (2)
C900.021 (3)0.025 (3)0.022 (3)−0.002 (2)0.005 (2)0.000 (2)
C910.013 (3)0.017 (3)0.025 (3)−0.003 (2)0.006 (2)0.000 (2)
C920.014 (3)0.019 (3)0.029 (3)−0.002 (2)0.006 (2)−0.002 (2)
C930.025 (3)0.042 (4)0.023 (3)0.005 (3)0.007 (3)0.001 (3)
C940.030 (4)0.054 (4)0.024 (3)0.012 (3)0.007 (3)0.012 (3)
C950.025 (3)0.028 (3)0.037 (3)0.005 (2)0.001 (3)0.006 (2)
C960.020 (3)0.020 (3)0.043 (3)0.002 (2)0.011 (3)−0.005 (3)
C970.021 (3)0.030 (3)0.025 (3)0.003 (2)0.007 (2)0.002 (2)
C980.030 (3)0.014 (2)0.024 (3)−0.001 (2)0.005 (3)0.001 (2)
C990.014 (3)0.018 (3)0.026 (3)0.006 (2)0.002 (2)0.001 (2)
C1000.022 (3)0.032 (3)0.025 (3)0.003 (2)0.002 (3)−0.005 (2)
C1010.030 (3)0.036 (3)0.038 (3)0.000 (3)0.000 (3)−0.017 (3)
C1020.025 (3)0.028 (4)0.061 (4)−0.002 (2)0.009 (3)−0.003 (3)
C1030.018 (3)0.045 (4)0.045 (4)−0.002 (3)0.009 (3)0.015 (3)
C1040.029 (3)0.034 (3)0.023 (3)0.007 (3)0.006 (3)−0.002 (2)
C1050.023 (3)0.019 (3)0.021 (3)0.000 (2)0.013 (2)−0.001 (2)
C1060.022 (3)0.012 (2)0.022 (3)−0.004 (2)0.009 (2)−0.0031 (19)
C1070.029 (3)0.013 (3)0.022 (3)−0.001 (2)0.008 (2)0.002 (2)
C1080.044 (4)0.014 (3)0.036 (3)0.002 (2)0.023 (3)0.004 (2)
C1090.051 (4)0.028 (3)0.032 (3)−0.016 (3)0.027 (3)−0.014 (3)
C1100.039 (4)0.038 (3)0.022 (3)−0.013 (3)0.005 (3)0.002 (2)
C1110.027 (3)0.028 (3)0.023 (3)−0.002 (2)0.010 (3)0.002 (2)
C1120.017 (3)0.012 (3)0.026 (3)−0.0011 (19)0.008 (2)−0.0026 (19)
C1130.028 (3)0.012 (2)0.021 (3)−0.001 (2)0.007 (2)−0.002 (2)
C1140.018 (3)0.010 (2)0.020 (2)0.0013 (19)0.003 (2)−0.0011 (18)
C1150.018 (3)0.023 (3)0.020 (3)0.002 (2)0.006 (2)−0.001 (2)
C1160.041 (4)0.023 (3)0.027 (3)−0.004 (3)0.017 (3)0.000 (2)
C1170.050 (4)0.030 (3)0.031 (3)0.001 (3)0.026 (3)0.001 (2)
C1180.029 (3)0.030 (3)0.026 (3)0.000 (3)0.010 (3)−0.009 (2)
C1190.063 (5)0.016 (3)0.040 (4)−0.005 (3)0.028 (3)−0.003 (2)
C1200.056 (4)0.022 (3)0.032 (3)−0.003 (3)0.028 (3)−0.002 (2)
Sn1—C82.139 (5)C52—C531.480 (7)
Sn1—C12.145 (6)C53—C541.314 (7)
Sn1—C152.154 (5)C53—H530.9500
Sn1—O12.165 (3)C54—C551.469 (7)
Sn1—O2i2.352 (4)C54—H540.9500
Sn2—C452.142 (5)C55—C601.387 (8)
Sn2—C382.153 (5)C55—C561.397 (7)
Sn2—C312.153 (5)C56—C571.404 (8)
Sn2—O32.177 (3)C56—H560.9500
Sn2—O4ii2.338 (3)C57—C581.359 (9)
Sn3—C682.143 (5)C57—H570.9500
Sn3—O52.153 (3)C58—C591.375 (9)
Sn3—C752.154 (5)C58—H580.9500
Sn3—C612.154 (5)C59—C601.384 (8)
Sn3—O6iii2.403 (4)C59—H590.9500
Sn4—C1052.149 (5)C60—H600.9500
Sn4—C982.151 (6)C61—C621.498 (7)
Sn4—C912.159 (5)C61—H61A0.9900
Sn4—O72.174 (3)C61—H61B0.9900
Sn4—O8iv2.352 (4)C62—C671.375 (7)
O1—C221.271 (6)C62—C631.396 (7)
O2—C221.273 (6)C63—C641.376 (7)
O2—Sn1v2.352 (4)C63—H630.9500
O3—C521.272 (6)C64—C651.373 (8)
O4—C521.254 (6)C64—H640.9500
O4—Sn2vi2.338 (3)C65—C661.388 (8)
O5—C821.283 (6)C65—H650.9500
O6—C821.240 (6)C66—C671.376 (7)
O6—Sn3vii2.403 (4)C66—H660.9500
O7—C1121.274 (6)C67—H670.9500
O8—C1121.250 (6)C68—C691.512 (7)
O8—Sn4viii2.352 (4)C68—H68A0.9900
C1—C21.509 (8)C68—H68B0.9900
C1—H1A0.9900C69—C741.386 (8)
C1—H1B0.9900C69—C701.390 (7)
C2—C71.381 (8)C70—C711.380 (8)
C2—C31.404 (9)C70—H700.9500
C3—C41.385 (11)C71—C721.375 (8)
C3—H30.9500C71—H710.9500
C4—C51.369 (10)C72—C731.380 (8)
C4—H40.9500C72—H720.9500
C5—C61.340 (9)C73—C741.400 (7)
C5—H50.9500C73—H730.9500
C6—C71.386 (8)C74—H740.9500
C6—H60.9500C75—C761.502 (7)
C7—H70.9500C75—H75A0.9900
C8—C91.497 (8)C75—H75B0.9900
C8—H8A0.9900C76—C811.396 (8)
C8—H8B0.9900C76—C771.400 (7)
C9—C141.383 (8)C77—C781.399 (7)
C9—C101.398 (8)C77—H770.9500
C10—C111.369 (9)C78—C791.367 (8)
C10—H100.9500C78—H780.9500
C11—C121.382 (10)C79—C801.380 (8)
C11—H110.9500C79—H790.9500
C12—C131.398 (10)C80—C811.383 (7)
C12—H120.9500C80—H800.9500
C13—C141.375 (9)C81—H810.9500
C13—H130.9500C82—C831.483 (7)
C14—H140.9500C83—C841.344 (7)
C15—C161.511 (7)C83—H830.9500
C15—H15A0.9900C84—C851.454 (7)
C15—H15B0.9900C84—H840.9500
C16—C211.378 (8)C85—C861.392 (7)
C16—C171.391 (7)C85—C901.417 (7)
C17—C181.374 (7)C86—C871.383 (7)
C17—H170.9500C86—H860.9500
C18—C191.360 (8)C87—C881.383 (8)
C18—H180.9500C87—H870.9500
C19—C201.371 (8)C88—C891.399 (8)
C19—H190.9500C88—H880.9500
C20—C211.393 (8)C89—C901.374 (7)
C20—H200.9500C89—H890.9500
C21—H210.9500C90—H900.9500
C22—C231.462 (7)C91—C921.483 (7)
C23—C241.338 (7)C91—H91A0.9900
C23—H230.9500C91—H91B0.9900
C24—C251.468 (7)C92—C931.369 (7)
C24—H240.9500C92—C971.399 (7)
C25—C301.388 (7)C93—C941.374 (8)
C25—C261.401 (7)C93—H930.9500
C26—C271.376 (7)C94—C951.376 (8)
C26—H260.9500C94—H940.9500
C27—C281.375 (7)C95—C961.382 (7)
C27—H270.9500C95—H950.9500
C28—C291.371 (7)C96—C971.392 (8)
C28—H280.9500C96—H960.9500
C29—C301.376 (7)C97—H970.9500
C29—H290.9500C98—C991.505 (8)
C30—H300.9500C98—H98A0.9900
C31—C321.495 (7)C98—H98B0.9900
C31—H31A0.9900C99—C1041.388 (8)
C31—H31B0.9900C99—C1001.396 (7)
C32—C371.385 (7)C100—C1011.391 (9)
C32—C331.400 (7)C100—H1000.9500
C33—C341.369 (8)C101—C1021.371 (9)
C33—H330.9500C101—H1010.9500
C34—C351.385 (9)C102—C1031.361 (9)
C34—H340.9500C102—H1020.9500
C35—C361.384 (8)C103—C1041.391 (8)
C35—H350.9500C103—H1030.9500
C36—C371.383 (7)C104—H1040.9500
C36—H360.9500C105—C1061.506 (7)
C37—H370.9500C105—H10A0.9900
C38—C391.491 (7)C105—H10B0.9900
C38—H38A0.9900C106—C1111.392 (7)
C38—H38B0.9900C106—C1071.393 (7)
C39—C441.385 (7)C107—C1081.387 (7)
C39—C401.387 (7)C107—H1070.9500
C40—C411.385 (7)C108—C1091.388 (8)
C40—H400.9500C108—H1080.9500
C41—C421.371 (8)C109—C1101.372 (9)
C41—H410.9500C109—H1090.9500
C42—C431.368 (8)C110—C1111.380 (7)
C42—H420.9500C110—H1100.9500
C43—C441.388 (7)C111—H1110.9500
C43—H430.9500C112—C1131.475 (7)
C44—H440.9500C113—C1141.327 (7)
C45—C461.507 (7)C113—H1130.9500
C45—H45A0.9900C114—C1151.465 (7)
C45—H45B0.9900C114—H1140.9500
C46—C511.391 (7)C115—C1161.388 (7)
C46—C471.397 (7)C115—C1201.391 (8)
C47—C481.379 (7)C116—C1171.391 (7)
C47—H470.9500C116—H1160.9500
C48—C491.373 (8)C117—C1181.375 (8)
C48—H480.9500C117—H1170.9500
C49—C501.377 (8)C118—C1191.378 (8)
C49—H490.9500C118—H1180.9500
C50—C511.381 (7)C119—C1201.394 (8)
C50—H500.9500C119—H1190.9500
C51—H510.9500C120—H1200.9500
C8—Sn1—C1120.6 (2)C54—C53—C52122.7 (5)
C8—Sn1—C15118.4 (2)C54—C53—H53118.6
C1—Sn1—C15119.9 (2)C52—C53—H53118.6
C8—Sn1—O194.91 (17)C53—C54—C55128.9 (5)
C1—Sn1—O194.35 (18)C53—C54—H54115.6
C15—Sn1—O190.95 (15)C55—C54—H54115.6
C8—Sn1—O2i88.82 (17)C60—C55—C56118.2 (5)
C1—Sn1—O2i90.56 (17)C60—C55—C54119.6 (5)
C15—Sn1—O2i80.29 (17)C56—C55—C54122.2 (5)
O1—Sn1—O2i171.2 (1)C55—C56—C57119.7 (6)
C45—Sn2—C38120.1 (2)C55—C56—H56120.2
C45—Sn2—C31118.6 (2)C57—C56—H56120.2
C38—Sn2—C31119.9 (2)C58—C57—C56120.5 (6)
C45—Sn2—O395.81 (17)C58—C57—H57119.8
C38—Sn2—O395.27 (17)C56—C57—H57119.8
C31—Sn2—O390.46 (15)C57—C58—C59120.6 (6)
C45—Sn2—O4ii89.23 (16)C57—C58—H58119.7
C38—Sn2—O4ii90.00 (16)C59—C58—H58119.7
C31—Sn2—O4ii79.16 (17)C58—C59—C60119.5 (6)
O3—Sn2—O4ii169.6 (1)C58—C59—H59120.3
C68—Sn3—O597.63 (17)C60—C59—H59120.3
C68—Sn3—C75120.36 (19)C59—C60—C55121.5 (6)
O5—Sn3—C7598.06 (17)C59—C60—H60119.3
C68—Sn3—C61119.5 (2)C55—C60—H60119.3
O5—Sn3—C6191.71 (16)C62—C61—Sn3119.3 (3)
C75—Sn3—C61117.1 (2)C62—C61—H61A107.5
C68—Sn3—O6iii86.80 (17)Sn3—C61—H61A107.5
O5—Sn3—O6iii168.4 (1)C62—C61—H61B107.5
C75—Sn3—O6iii88.87 (16)Sn3—C61—H61B107.5
C61—Sn3—O6iii76.76 (16)H61A—C61—H61B107.0
C105—Sn4—C98119.4 (2)C67—C62—C63117.8 (5)
C105—Sn4—C91119.1 (2)C67—C62—C61121.2 (5)
C98—Sn4—C91120.1 (2)C63—C62—C61121.0 (5)
C105—Sn4—O790.16 (15)C64—C63—C62121.6 (5)
C98—Sn4—O796.21 (17)C64—C63—H63119.2
C91—Sn4—O795.52 (17)C62—C63—H63119.2
C105—Sn4—O8iv79.21 (16)C65—C64—C63119.9 (5)
C98—Sn4—O8iv89.56 (17)C65—C64—H64120.1
C91—Sn4—O8iv89.27 (16)C63—C64—H64120.1
O7—Sn4—O8iv169.4 (1)C64—C65—C66119.0 (5)
C22—O1—Sn1122.0 (3)C64—C65—H65120.5
C22—O2—Sn1v141.0 (3)C66—C65—H65120.5
C52—O3—Sn2121.4 (3)C67—C66—C65120.9 (5)
C52—O4—Sn2vi143.3 (3)C67—C66—H66119.6
C82—O5—Sn3122.6 (3)C65—C66—H66119.6
C82—O6—Sn3vii151.3 (3)C62—C67—C66120.8 (5)
C112—O7—Sn4120.8 (3)C62—C67—H67119.6
C112—O8—Sn4viii141.0 (3)C66—C67—H67119.6
C2—C1—Sn1113.0 (4)C69—C68—Sn3113.5 (3)
C2—C1—H1A109.0C69—C68—H68A108.9
Sn1—C1—H1A109.0Sn3—C68—H68A108.9
C2—C1—H1B109.0C69—C68—H68B108.9
Sn1—C1—H1B109.0Sn3—C68—H68B108.9
H1A—C1—H1B107.8H68A—C68—H68B107.7
C7—C2—C3117.2 (6)C74—C69—C70118.4 (5)
C7—C2—C1122.3 (5)C74—C69—C68121.5 (5)
C3—C2—C1120.5 (6)C70—C69—C68120.0 (5)
C4—C3—C2119.7 (6)C71—C70—C69121.0 (6)
C4—C3—H3120.1C71—C70—H70119.5
C2—C3—H3120.1C69—C70—H70119.5
C5—C4—C3121.5 (6)C72—C71—C70120.3 (5)
C5—C4—H4119.2C72—C71—H71119.9
C3—C4—H4119.2C70—C71—H71119.9
C6—C5—C4118.9 (6)C71—C72—C73120.0 (5)
C6—C5—H5120.5C71—C72—H72120.0
C4—C5—H5120.5C73—C72—H72120.0
C5—C6—C7121.3 (6)C72—C73—C74119.7 (6)
C5—C6—H6119.3C72—C73—H73120.2
C7—C6—H6119.3C74—C73—H73120.2
C2—C7—C6121.2 (6)C69—C74—C73120.6 (5)
C2—C7—H7119.4C69—C74—H74119.7
C6—C7—H7119.4C73—C74—H74119.7
C9—C8—Sn1114.3 (4)C76—C75—Sn3113.1 (3)
C9—C8—H8A108.7C76—C75—H75A109.0
Sn1—C8—H8A108.7Sn3—C75—H75A109.0
C9—C8—H8B108.7C76—C75—H75B109.0
Sn1—C8—H8B108.7Sn3—C75—H75B109.0
H8A—C8—H8B107.6H75A—C75—H75B107.8
C14—C9—C10117.5 (6)C81—C76—C77117.1 (5)
C14—C9—C8121.7 (5)C81—C76—C75121.6 (5)
C10—C9—C8120.8 (5)C77—C76—C75121.3 (5)
C11—C10—C9121.4 (6)C78—C77—C76121.0 (5)
C11—C10—H10119.3C78—C77—H77119.5
C9—C10—H10119.3C76—C77—H77119.5
C10—C11—C12119.9 (6)C79—C78—C77119.6 (5)
C10—C11—H11120.1C79—C78—H78120.2
C12—C11—H11120.1C77—C78—H78120.2
C11—C12—C13120.2 (6)C78—C79—C80121.2 (5)
C11—C12—H12119.9C78—C79—H79119.4
C13—C12—H12119.9C80—C79—H79119.4
C14—C13—C12118.6 (6)C79—C80—C81118.9 (6)
C14—C13—H13120.7C79—C80—H80120.6
C12—C13—H13120.7C81—C80—H80120.6
C13—C14—C9122.4 (6)C80—C81—C76122.2 (5)
C13—C14—H14118.8C80—C81—H81118.9
C9—C14—H14118.8C76—C81—H81118.9
C16—C15—Sn1119.7 (4)O6—C82—O5123.2 (5)
C16—C15—H15A107.4O6—C82—C83120.5 (5)
Sn1—C15—H15A107.4O5—C82—C83116.3 (4)
C16—C15—H15B107.4C84—C83—C82122.2 (5)
Sn1—C15—H15B107.4C84—C83—H83118.9
H15A—C15—H15B106.9C82—C83—H83118.9
C21—C16—C17117.3 (5)C83—C84—C85128.7 (5)
C21—C16—C15121.3 (5)C83—C84—H84115.6
C17—C16—C15121.4 (5)C85—C84—H84115.6
C18—C17—C16121.0 (5)C86—C85—C90117.9 (5)
C18—C17—H17119.5C86—C85—C84118.0 (5)
C16—C17—H17119.5C90—C85—C84124.0 (5)
C19—C18—C17121.4 (5)C87—C86—C85121.9 (5)
C19—C18—H18119.3C87—C86—H86119.0
C17—C18—H18119.3C85—C86—H86119.0
C18—C19—C20118.9 (5)C86—C87—C88119.2 (5)
C18—C19—H19120.6C86—C87—H87120.4
C20—C19—H19120.6C88—C87—H87120.4
C19—C20—C21120.3 (6)C87—C88—C89120.3 (5)
C19—C20—H20119.8C87—C88—H88119.8
C21—C20—H20119.8C89—C88—H88119.8
C16—C21—C20121.2 (5)C90—C89—C88120.2 (5)
C16—C21—H21119.4C90—C89—H89119.9
C20—C21—H21119.4C88—C89—H89119.9
O2—C22—O1121.8 (5)C89—C90—C85120.4 (5)
O2—C22—C23120.9 (5)C89—C90—H90119.8
O1—C22—C23117.3 (5)C85—C90—H90119.8
C24—C23—C22122.0 (5)C92—C91—Sn4111.6 (3)
C24—C23—H23119.0C92—C91—H91A109.3
C22—C23—H23119.0Sn4—C91—H91A109.3
C23—C24—C25127.1 (5)C92—C91—H91B109.3
C23—C24—H24116.5Sn4—C91—H91B109.3
C25—C24—H24116.5H91A—C91—H91B108.0
C30—C25—C26117.3 (5)C93—C92—C97117.7 (5)
C30—C25—C24123.3 (5)C93—C92—C91120.8 (5)
C26—C25—C24119.4 (4)C97—C92—C91121.4 (5)
C27—C26—C25121.3 (5)C92—C93—C94122.2 (6)
C27—C26—H26119.3C92—C93—H93118.9
C25—C26—H26119.3C94—C93—H93118.9
C28—C27—C26119.6 (5)C93—C94—C95120.0 (5)
C28—C27—H27120.2C93—C94—H94120.0
C26—C27—H27120.2C95—C94—H94120.0
C29—C28—C27120.3 (5)C94—C95—C96119.7 (5)
C29—C28—H28119.9C94—C95—H95120.1
C27—C28—H28119.9C96—C95—H95120.1
C28—C29—C30120.1 (5)C95—C96—C97119.6 (5)
C28—C29—H29120.0C95—C96—H96120.2
C30—C29—H29120.0C97—C96—H96120.2
C29—C30—C25121.3 (5)C96—C97—C92120.8 (5)
C29—C30—H30119.3C96—C97—H97119.6
C25—C30—H30119.3C92—C97—H97119.6
C32—C31—Sn2117.1 (3)C99—C98—Sn4113.4 (3)
C32—C31—H31A108.0C99—C98—H98A108.9
Sn2—C31—H31A108.0Sn4—C98—H98A108.9
C32—C31—H31B108.0C99—C98—H98B108.9
Sn2—C31—H31B108.0Sn4—C98—H98B108.9
H31A—C31—H31B107.3H98A—C98—H98B107.7
C37—C32—C33116.3 (5)C104—C99—C100118.2 (5)
C37—C32—C31121.9 (5)C104—C99—C98120.2 (5)
C33—C32—C31121.8 (5)C100—C99—C98121.6 (5)
C34—C33—C32121.9 (5)C101—C100—C99119.6 (6)
C34—C33—H33119.0C101—C100—H100120.2
C32—C33—H33119.0C99—C100—H100120.2
C33—C34—C35120.4 (5)C102—C101—C100121.5 (6)
C33—C34—H34119.8C102—C101—H101119.3
C35—C34—H34119.8C100—C101—H101119.3
C34—C35—C36119.2 (5)C103—C102—C101119.0 (6)
C34—C35—H35120.4C103—C102—H102120.5
C36—C35—H35120.4C101—C102—H102120.5
C37—C36—C35119.5 (5)C102—C103—C104120.9 (6)
C37—C36—H36120.3C102—C103—H103119.5
C35—C36—H36120.3C104—C103—H103119.5
C36—C37—C32122.6 (5)C99—C104—C103120.7 (5)
C36—C37—H37118.7C99—C104—H104119.7
C32—C37—H37118.7C103—C104—H104119.7
C39—C38—Sn2114.5 (3)C106—C105—Sn4118.8 (3)
C39—C38—H38A108.6C106—C105—H10A107.6
Sn2—C38—H38A108.6Sn4—C105—H10A107.6
C39—C38—H38B108.6C106—C105—H10B107.6
Sn2—C38—H38B108.6Sn4—C105—H10B107.6
H38A—C38—H38B107.6H10A—C105—H10B107.1
C44—C39—C40116.8 (5)C111—C106—C107117.1 (5)
C44—C39—C38122.8 (5)C111—C106—C105121.5 (5)
C40—C39—C38120.4 (4)C107—C106—C105121.4 (5)
C41—C40—C39121.7 (5)C108—C107—C106122.0 (5)
C41—C40—H40119.1C108—C107—H107119.0
C39—C40—H40119.1C106—C107—H107119.0
C42—C41—C40120.2 (5)C107—C108—C109118.9 (5)
C42—C41—H41119.9C107—C108—H108120.5
C40—C41—H41119.9C109—C108—H108120.5
C43—C42—C41119.4 (5)C110—C109—C108120.4 (5)
C43—C42—H42120.3C110—C109—H109119.8
C41—C42—H42120.3C108—C109—H109119.8
C42—C43—C44120.2 (5)C109—C110—C111119.9 (6)
C42—C43—H43119.9C109—C110—H110120.1
C44—C43—H43119.9C111—C110—H110120.1
C39—C44—C43121.6 (5)C110—C111—C106121.8 (6)
C39—C44—H44119.2C110—C111—H111119.1
C43—C44—H44119.2C106—C111—H111119.1
C46—C45—Sn2113.8 (3)O8—C112—O7122.3 (4)
C46—C45—H45A108.8O8—C112—C113121.3 (5)
Sn2—C45—H45A108.8O7—C112—C113116.4 (4)
C46—C45—H45B108.8C114—C113—C112122.5 (5)
Sn2—C45—H45B108.8C114—C113—H113118.8
H45A—C45—H45B107.7C112—C113—H113118.8
C51—C46—C47117.3 (5)C113—C114—C115127.6 (5)
C51—C46—C45122.1 (5)C113—C114—H114116.2
C47—C46—C45120.5 (5)C115—C114—H114116.2
C48—C47—C46121.0 (5)C116—C115—C120117.8 (5)
C48—C47—H47119.5C116—C115—C114120.2 (5)
C46—C47—H47119.5C120—C115—C114122.0 (5)
C49—C48—C47120.9 (6)C115—C116—C117121.2 (5)
C49—C48—H48119.5C115—C116—H116119.4
C47—C48—H48119.5C117—C116—H116119.4
C48—C49—C50119.0 (5)C118—C117—C116120.1 (5)
C48—C49—H49120.5C118—C117—H117120.0
C50—C49—H49120.5C116—C117—H117120.0
C49—C50—C51120.6 (5)C117—C118—C119120.0 (5)
C49—C50—H50119.7C117—C118—H118120.0
C51—C50—H50119.7C119—C118—H118120.0
C50—C51—C46121.2 (5)C118—C119—C120119.7 (5)
C50—C51—H51119.4C118—C119—H119120.1
C46—C51—H51119.4C120—C119—H119120.1
O4—C52—O3122.8 (5)C115—C120—C119121.2 (5)
O4—C52—C53120.8 (5)C115—C120—H120119.4
O3—C52—C53116.4 (4)C119—C120—H120119.4
C8—Sn1—O1—C22−57.0 (4)C55—C56—C57—C58−0.1 (8)
C1—Sn1—O1—C2264.3 (4)C56—C57—C58—C590.5 (9)
C15—Sn1—O1—C22−175.6 (4)C57—C58—C59—C60−1.3 (9)
C45—Sn2—O3—C52−60.5 (4)C58—C59—C60—C551.6 (9)
C38—Sn2—O3—C5260.6 (4)C56—C55—C60—C59−1.2 (8)
C31—Sn2—O3—C52−179.3 (4)C54—C55—C60—C59178.5 (5)
C68—Sn3—O5—C8256.0 (4)C68—Sn3—C61—C6292.7 (5)
C75—Sn3—O5—C82−66.3 (4)O5—Sn3—C61—C62−7.0 (4)
C61—Sn3—O5—C82176.1 (4)C75—Sn3—C61—C62−107.0 (4)
O6iii—Sn3—O5—C82167.8 (6)O6iii—Sn3—C61—C62171.3 (5)
C105—Sn4—O7—C112177.4 (4)Sn3—C61—C62—C67−103.0 (5)
C98—Sn4—O7—C11257.7 (4)Sn3—C61—C62—C6377.6 (6)
C91—Sn4—O7—C112−63.4 (4)C67—C62—C63—C64−0.2 (8)
C8—Sn1—C1—C2−141.8 (4)C61—C62—C63—C64179.2 (5)
C15—Sn1—C1—C226.3 (5)C62—C63—C64—C650.7 (8)
O1—Sn1—C1—C2119.9 (4)C63—C64—C65—C66−1.6 (8)
O2i—Sn1—C1—C2−52.8 (4)C64—C65—C66—C672.0 (9)
Sn1—C1—C2—C7110.4 (5)C63—C62—C67—C660.5 (8)
Sn1—C1—C2—C3−67.2 (6)C61—C62—C67—C66−178.8 (5)
C7—C2—C3—C4−1.3 (9)C65—C66—C67—C62−1.5 (9)
C1—C2—C3—C4176.4 (6)O5—Sn3—C68—C69104.2 (4)
C2—C3—C4—C52.6 (11)C75—Sn3—C68—C69−151.7 (3)
C3—C4—C5—C6−1.1 (11)C61—Sn3—C68—C697.9 (4)
C4—C5—C6—C7−1.7 (10)O6iii—Sn3—C68—C69−64.9 (4)
C3—C2—C7—C6−1.5 (9)Sn3—C68—C69—C74115.9 (5)
C1—C2—C7—C6−179.2 (5)Sn3—C68—C69—C70−66.9 (5)
C5—C6—C7—C23.1 (10)C74—C69—C70—C711.5 (8)
C1—Sn1—C8—C9147.6 (4)C68—C69—C70—C71−175.8 (5)
C15—Sn1—C8—C9−20.7 (5)C69—C70—C71—C72−1.2 (9)
O1—Sn1—C8—C9−114.4 (4)C70—C71—C72—C730.5 (9)
O2i—Sn1—C8—C957.6 (4)C71—C72—C73—C74−0.1 (9)
Sn1—C8—C9—C14−112.0 (5)C70—C69—C74—C73−1.1 (8)
Sn1—C8—C9—C1069.1 (6)C68—C69—C74—C73176.1 (5)
C14—C9—C10—C11−0.1 (9)C72—C73—C74—C690.5 (9)
C8—C9—C10—C11178.8 (5)C68—Sn3—C75—C76139.7 (4)
C9—C10—C11—C12−0.5 (9)O5—Sn3—C75—C76−116.5 (4)
C10—C11—C12—C130.9 (10)C61—Sn3—C75—C76−20.4 (5)
C11—C12—C13—C14−0.5 (11)O6iii—Sn3—C75—C7654.1 (4)
C12—C13—C14—C9−0.2 (11)Sn3—C75—C76—C8169.9 (6)
C10—C9—C14—C130.5 (10)Sn3—C75—C76—C77−108.4 (5)
C8—C9—C14—C13−178.4 (6)C81—C76—C77—C78−0.8 (7)
C8—Sn1—C15—C16−112.9 (4)C75—C76—C77—C78177.6 (5)
C1—Sn1—C15—C1678.8 (5)C76—C77—C78—C79−1.0 (8)
O1—Sn1—C15—C16−16.8 (4)C77—C78—C79—C802.6 (8)
O2i—Sn1—C15—C16163.8 (5)C78—C79—C80—C81−2.4 (8)
Sn1—C15—C16—C21−103.6 (5)C79—C80—C81—C760.5 (8)
Sn1—C15—C16—C1776.8 (6)C77—C76—C81—C801.1 (8)
C21—C16—C17—C18−0.8 (8)C75—C76—C81—C80−177.3 (5)
C15—C16—C17—C18178.8 (5)Sn3vii—O6—C82—O5176.3 (4)
C16—C17—C18—C192.0 (8)Sn3vii—O6—C82—C83−2.7 (10)
C17—C18—C19—C20−2.2 (8)Sn3—O5—C82—O62.5 (7)
C18—C19—C20—C211.4 (9)Sn3—O5—C82—C83−178.5 (3)
C17—C16—C21—C200.0 (8)O6—C82—C83—C84179.6 (5)
C15—C16—C21—C20−179.6 (5)O5—C82—C83—C840.6 (8)
C19—C20—C21—C16−0.3 (9)C82—C83—C84—C85−179.7 (5)
Sn1v—O2—C22—O1−177.8 (4)C83—C84—C85—C86166.8 (5)
Sn1v—O2—C22—C231.7 (9)C83—C84—C85—C90−11.2 (9)
Sn1—O1—C22—O2−2.3 (7)C90—C85—C86—C871.2 (8)
Sn1—O1—C22—C23178.2 (4)C84—C85—C86—C87−176.9 (5)
O2—C22—C23—C24−177.4 (5)C85—C86—C87—C88−1.8 (8)
O1—C22—C23—C242.1 (8)C86—C87—C88—C890.3 (8)
C22—C23—C24—C25178.9 (5)C87—C88—C89—C901.7 (8)
C23—C24—C25—C308.2 (9)C88—C89—C90—C85−2.3 (8)
C23—C24—C25—C26−171.8 (5)C86—C85—C90—C890.8 (8)
C30—C25—C26—C270.8 (9)C84—C85—C90—C89178.8 (5)
C24—C25—C26—C27−179.2 (5)C105—Sn4—C91—C92−13.6 (4)
C25—C26—C27—C280.0 (9)C98—Sn4—C91—C92152.7 (3)
C26—C27—C28—C29−0.9 (9)O7—Sn4—C91—C92−106.8 (4)
C27—C28—C29—C300.9 (9)O8iv—Sn4—C91—C9263.6 (4)
C28—C29—C30—C250.0 (9)Sn4—C91—C92—C9368.4 (6)
C26—C25—C30—C29−0.8 (9)Sn4—C91—C92—C97−109.9 (5)
C24—C25—C30—C29179.2 (5)C97—C92—C93—C940.7 (9)
C45—Sn2—C31—C32−103.1 (4)C91—C92—C93—C94−177.6 (6)
C38—Sn2—C31—C3290.1 (5)C92—C93—C94—C950.5 (10)
O3—Sn2—C31—C32−6.3 (4)C93—C94—C95—C96−1.6 (10)
O4ii—Sn2—C31—C32173.8 (4)C94—C95—C96—C971.5 (9)
Sn2—C31—C32—C37−90.5 (5)C95—C96—C97—C92−0.4 (9)
Sn2—C31—C32—C3387.8 (6)C93—C92—C97—C96−0.7 (8)
C37—C32—C33—C341.6 (8)C91—C92—C97—C96177.6 (5)
C31—C32—C33—C34−176.8 (5)C105—Sn4—C98—C9923.6 (5)
C32—C33—C34—C35−1.6 (9)C91—Sn4—C98—C99−142.7 (4)
C33—C34—C35—C360.3 (9)O7—Sn4—C98—C99117.3 (4)
C34—C35—C36—C371.0 (8)O8iv—Sn4—C98—C99−53.7 (4)
C35—C36—C37—C32−1.0 (8)Sn4—C98—C99—C104−69.2 (6)
C33—C32—C37—C36−0.3 (7)Sn4—C98—C99—C100110.2 (5)
C31—C32—C37—C36178.1 (5)C104—C99—C100—C101−0.4 (8)
C45—Sn2—C38—C39−137.4 (4)C98—C99—C100—C101−179.9 (5)
C31—Sn2—C38—C3929.1 (5)C99—C100—C101—C1022.1 (10)
O3—Sn2—C38—C39122.7 (4)C100—C101—C102—C103−3.1 (10)
O4ii—Sn2—C38—C39−48.3 (4)C101—C102—C103—C1042.5 (9)
Sn2—C38—C39—C44110.5 (5)C100—C99—C104—C103−0.1 (8)
Sn2—C38—C39—C40−69.8 (6)C98—C99—C104—C103179.3 (5)
C44—C39—C40—C41−2.0 (7)C102—C103—C104—C99−0.9 (9)
C38—C39—C40—C41178.3 (5)C98—Sn4—C105—C106103.1 (4)
C39—C40—C41—C421.6 (8)C91—Sn4—C105—C106−90.5 (4)
C40—C41—C42—C43−0.3 (8)O7—Sn4—C105—C1065.9 (4)
C41—C42—C43—C44−0.4 (8)O8iv—Sn4—C105—C106−173.6 (4)
C40—C39—C44—C431.2 (7)Sn4—C105—C106—C111101.6 (5)
C38—C39—C44—C43−179.1 (5)Sn4—C105—C106—C107−78.2 (6)
C42—C43—C44—C39−0.1 (8)C111—C106—C107—C1080.2 (7)
C38—Sn2—C45—C46153.9 (3)C105—C106—C107—C108−179.9 (5)
C31—Sn2—C45—C46−12.8 (4)C106—C107—C108—C109−1.0 (8)
O3—Sn2—C45—C46−106.6 (4)C107—C108—C109—C1100.8 (8)
O4ii—Sn2—C45—C4664.4 (4)C108—C109—C110—C1110.2 (9)
Sn2—C45—C46—C51−109.2 (5)C109—C110—C111—C106−1.0 (8)
Sn2—C45—C46—C4773.5 (5)C107—C106—C111—C1100.8 (8)
C51—C46—C47—C48−0.3 (8)C105—C106—C111—C110−179.1 (5)
C45—C46—C47—C48177.1 (5)Sn4viii—O8—C112—O7178.0 (3)
C46—C47—C48—C49−0.9 (9)Sn4viii—O8—C112—C113−2.8 (8)
C47—C48—C49—C501.9 (9)Sn4—O7—C112—O82.1 (7)
C48—C49—C50—C51−1.7 (9)Sn4—O7—C112—C113−177.1 (3)
C49—C50—C51—C460.5 (9)O8—C112—C113—C114−178.3 (5)
C47—C46—C51—C500.5 (8)O7—C112—C113—C1140.9 (8)
C45—C46—C51—C50−176.9 (5)C112—C113—C114—C115177.3 (5)
Sn2vi—O4—C52—O3−180.0 (3)C113—C114—C115—C116−171.6 (6)
Sn2vi—O4—C52—C530.3 (8)C113—C114—C115—C1206.2 (9)
Sn2—O3—C52—O42.2 (6)C120—C115—C116—C117−1.3 (9)
Sn2—O3—C52—C53−178.1 (3)C114—C115—C116—C117176.7 (5)
O4—C52—C53—C54−170.9 (5)C115—C116—C117—C1181.0 (9)
O3—C52—C53—C549.3 (7)C116—C117—C118—C119−0.5 (9)
C52—C53—C54—C55179.2 (5)C117—C118—C119—C1200.2 (10)
C53—C54—C55—C60−169.4 (5)C116—C115—C120—C1191.0 (10)
C53—C54—C55—C5610.3 (9)C114—C115—C120—C119−176.9 (6)
C60—C55—C56—C570.4 (8)C118—C119—C120—C115−0.5 (10)
C54—C55—C56—C57−179.2 (5)
Sn1—O12.165 (3)
Sn1—O2i2.352 (4)
Sn2—O32.177 (3)
Sn2—O4ii2.338 (3)
Sn3—O52.153 (3)
Sn3—O6iii2.403 (4)
Sn4—O72.174 (3)
Sn4—O8iv2.352 (4)
O1—Sn1—O2i171.2 (1)
O3—Sn2—O4ii169.6 (1)
O5—Sn3—O6iii168.4 (1)
O7—Sn4—O8iv169.4 (1)

Symmetry codes: (i) ; (ii) ; (iii) ; (iv) .

  6 in total

1.  22 space-group changes.

Authors:  Dore Augusto Clemente; Armando Marzotto
Journal:  Acta Crystallogr B       Date:  2003-01-28

2.  30 space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum.

Authors:  Dore Augusto Clemente; Armando Marzotto
Journal:  Acta Crystallogr B       Date:  2004-05-17

3.  A short history of SHELX.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr A       Date:  2007-12-21       Impact factor: 2.290

4.  catena-Poly[[tribenzyl-tin(IV)]-μ-4-nitro-cinnamato-κO:O'].

Authors:  Pui Yee Thong; Kong Mun Lo; Seik Weng Ng
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2008-10-11

5.  Determination of absolute structure using Bayesian statistics on Bijvoet differences.

Authors:  Rob W W Hooft; Leo H Straver; Anthony L Spek
Journal:  J Appl Crystallogr       Date:  2008-01-16       Impact factor: 3.304

6.  Structure validation in chemical crystallography.

Authors:  Anthony L Spek
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2009-01-20
  6 in total
  1 in total

1.  catena-Poly[[tribenzyl-tin(IV)]-μ-(E)-3-(2-fur-yl)prop-2-enoato-κO:O'].

Authors:  Thy Chun Keng; Kong Mun Lo; Seik Weng Ng
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2011-06-25
  1 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.