metal-organic compounds
The title compound, [Sn(C4H9)3(C2H3O2)]n, forms characteristic polymeric chains, in which Sn atoms are bridged by acetate groups, bonding through both O atoms. The coordination geometry of the Sn atom is slightly distorted trigonal bipyramidal. The butyl groups occupy the equatorial positions, with Sn—C bond lengths in the range 2.115 (10)–2.129 (9) Å, while the axial Sn—O bond lengths are 2.178 (5) and 2.422 (5) Å.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806003904/lh6565sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806003904/lh6565Isup2.hkl |
CCDC reference: 601206
Computing details top
Data collection: CAD-4 Software (Schagen et al., 1989); cell refinement: CAD-4 Software; data reduction: local program; program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: RAELS (Rae, 1996); molecular graphics: ORTEPII, (Johnson, 1976); software used to prepare material for publication: local programs.
catena-Poly[tributyltin(IV)-µ-acetato] top
Crystal data top
[Sn(C4H9)3(C2H3O2)] | F(000) = 1440.0 |
Mr = 349.1 | Dx = 1.29 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ybc | Cell parameters from 10 reflections |
a = 10.386 (4) Å | θ = 11–12° |
b = 20.924 (3) Å | µ = 1.42 mm−1 |
c = 16.584 (6) Å | T = 294 K |
β = 92.87 (2)° | Prism, colourless |
V = 3599 (2) Å3 | 0.30 × 0.10 × 0.06 mm |
Z = 8 |
Data collection top
Enraf–Nonius CAD-4 diffractometer | Rint = 0.015 |
ω–2θ scans | θmax = 25° |
Absorption correction: analytical (de Meulenaer & Tompa, 1965) | h = 0→12 |
Tmin = 0.84, Tmax = 0.93 | k = 0→24 |
6704 measured reflections | l = −19→19 |
6332 independent reflections | 1 standard reflections every 30 min |
3844 reflections with I > 2σ(I) | intensity decay: 28% |
Refinement top
Refinement on F | H-atom parameters not refined |
R[F2 > 2σ(F2)] = 0.053 | w = 1/[σ2(F) + 0.0004F2] |
wR(F2) = 0.060 | (Δ/σ)max = 0.009 |
S = 1.87 | Δρmax = 0.91 e Å−3 |
3844 reflections | Δρmin = −0.90 e Å−3 |
202 parameters |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Sn1 | 0.70736 (4) | 0.13430 (3) | 0.36329 (3) | 0.0841 (2) | |
Sn2 | 0.20254 (4) | 0.17908 (3) | 0.29226 (3) | 0.0945 (2) | |
C1 | 0.6504 (8) | 0.0871 (5) | 0.2535 (5) | 0.124 (3) | |
C2 | 0.7423 (12) | 0.0393 (6) | 0.2247 (7) | 0.178 (4) | |
C3 | 0.6947 (16) | 0.0065 (8) | 0.1500 (9) | 0.229 (5) | |
C4 | 0.776 (3) | −0.0481 (13) | 0.1331 (15) | 0.296 (9) | 0.5 |
C4' | 0.801 (2) | −0.0144 (17) | 0.1035 (16) | 0.296 (9) | 0.5 |
C5 | 0.8448 (7) | 0.0863 (4) | 0.4405 (5) | 0.099 (2) | |
C6 | 0.8679 (9) | 0.1128 (5) | 0.5231 (5) | 0.138 (3) | |
C7 | 0.9674 (10) | 0.0790 (6) | 0.5746 (7) | 0.177 (4) | |
C8 | 0.9766 (19) | 0.0961 (10) | 0.6605 (9) | 0.189 (6) | 0.5 |
C8' | 1.0531 (19) | 0.1184 (8) | 0.6259 (12) | 0.189 (6) | 0.5 |
C9 | 0.6656 (8) | 0.2310 (5) | 0.3852 (5) | 0.116 (2) | |
C10 | 0.5996 (11) | 0.2498 (5) | 0.4573 (7) | 0.148 (3) | |
C11 | 0.5756 (16) | 0.3183 (6) | 0.4622 (10) | 0.216 (5) | |
C12 | 0.4939 (19) | 0.3443 (9) | 0.5209 (13) | 0.268 (6) | |
C13 | 0.1509 (9) | 0.0850 (5) | 0.2576 (6) | 0.137 (3) | |
C14 | 0.2365 (15) | 0.0590 (7) | 0.1983 (9) | 0.227 (5) | |
C15 | 0.1928 (17) | 0.0070 (10) | 0.1468 (9) | 0.284 (8) | 0.5 |
C16 | 0.211 (4) | −0.0504 (13) | 0.192 (2) | 0.374 (9) | 0.5 |
C15' | 0.2109 (19) | −0.0030 (9) | 0.1644 (10) | 0.284 (8) | 0.5 |
C16' | 0.302 (3) | −0.0193 (18) | 0.106 (2) | 0.374 (9) | 0.5 |
C17 | 0.3270 (8) | 0.2262 (5) | 0.2142 (6) | 0.126 (3) | |
C18 | 0.3415 (12) | 0.2969 (5) | 0.2212 (7) | 0.170 (4) | |
C19 | 0.4366 (14) | 0.3211 (7) | 0.1626 (8) | 0.201 (5) | |
C20 | 0.453 (3) | 0.3915 (9) | 0.1605 (17) | 0.289 (9) | 0.5 |
C20' | 0.509 (3) | 0.3785 (13) | 0.1885 (15) | 0.289 (9) | 0.5 |
C21 | 0.1714 (8) | 0.2179 (4) | 0.4077 (5) | 0.113 (2) | |
C22 | 0.0937 (10) | 0.2782 (4) | 0.4127 (6) | 0.135 (3) | |
C23 | 0.0776 (11) | 0.3023 (6) | 0.4970 (7) | 0.162 (3) | |
C24 | −0.0106 (16) | 0.3588 (7) | 0.5024 (10) | 0.213 (5) | |
O1Ac1 | 0.8968 (4) | 0.1733 (3) | 0.2994 (4) | 0.103 (2) | |
O2Ac1 | 1.0383 (5) | 0.2233 (3) | 0.2269 (3) | 0.115 (2) | |
C1Ac1 | 0.9221 (8) | 0.2082 (5) | 0.2444 (6) | 0.107 (3) | |
C2Ac1 | 0.8186 (8) | 0.2399 (6) | 0.1899 (7) | 0.164 (5) | |
O1Ac2 | 0.5556 (4) | 0.0904 (3) | 0.4304 (3) | 0.104 (2) | |
O2Ac2 | 0.4017 (4) | 0.1357 (3) | 0.3553 (4) | 0.105 (2) | |
C1Ac2 | 0.4383 (7) | 0.0982 (4) | 0.4097 (6) | 0.097 (2) | |
C2Ac2 | 0.3447 (8) | 0.0604 (5) | 0.4546 (6) | 0.134 (4) | |
H1C1 | 0.6375 | 0.1204 | 0.2106 | 0.124 | |
H2C1 | 0.5668 | 0.0648 | 0.2616 | 0.124 | |
H1C2 | 0.7583 | 0.0065 | 0.2679 | 0.178 | |
H2C2 | 0.8250 | 0.0614 | 0.2138 | 0.178 | |
H1C3 | 0.6953 | 0.0372 | 0.1038 | 0.229 | 0.5 |
H2C3 | 0.6046 | −0.0087 | 0.1568 | 0.229 | 0.5 |
H1'C3 | 0.6396 | 0.0366 | 0.1167 | 0.229 | 0.5 |
H2'C3 | 0.6424 | −0.0315 | 0.1647 | 0.229 | 0.5 |
H1C4 | 0.7428 | −0.0697 | 0.0825 | 0.296 | 0.5 |
H2C4 | 0.8666 | −0.0331 | 0.1260 | 0.296 | 0.5 |
H3C4 | 0.7758 | −0.0790 | 0.1791 | 0.296 | 0.5 |
H1C4' | 0.7669 | −0.0365 | 0.0534 | 0.296 | 0.5 |
H2C4' | 0.8536 | 0.0234 | 0.0885 | 0.296 | 0.5 |
H3C4' | 0.8564 | −0.0447 | 0.1365 | 0.296 | 0.5 |
H1C5 | 0.9289 | 0.0868 | 0.4136 | 0.099 | |
H2C5 | 0.8150 | 0.0411 | 0.4462 | 0.099 | |
H1C6 | 0.7848 | 0.1111 | 0.5510 | 0.138 | |
H2C6 | 0.8957 | 0.1584 | 0.5178 | 0.138 | |
H1C7 | 1.0531 | 0.0880 | 0.5520 | 0.177 | 0.5 |
H2C7 | 0.9486 | 0.0322 | 0.5708 | 0.177 | 0.5 |
H1'C7 | 1.0221 | 0.0539 | 0.5381 | 0.177 | 0.5 |
H2'C7 | 0.9216 | 0.0491 | 0.6104 | 0.177 | 0.5 |
H1C8 | 1.0464 | 0.0703 | 0.6887 | 0.189 | 0.5 |
H2C8 | 0.9970 | 0.1426 | 0.6663 | 0.189 | 0.5 |
H3C8 | 0.8926 | 0.0869 | 0.6851 | 0.189 | 0.5 |
H1C8' | 1.1153 | 0.0904 | 0.6574 | 0.189 | 0.5 |
H2C8' | 1.1017 | 0.1484 | 0.5916 | 0.189 | 0.5 |
H3C8' | 1.0011 | 0.1435 | 0.6639 | 0.189 | 0.5 |
H1C9 | 0.6109 | 0.2463 | 0.3378 | 0.116 | |
H2C9 | 0.7498 | 0.2543 | 0.3873 | 0.116 | |
H1C10 | 0.6539 | 0.2366 | 0.5059 | 0.148 | |
H2C10 | 0.5149 | 0.2270 | 0.4570 | 0.148 | |
H1C11 | 0.5375 | 0.3315 | 0.4082 | 0.216 | |
H2C11 | 0.6618 | 0.3391 | 0.4718 | 0.216 | |
H1C12 | 0.4896 | 0.3918 | 0.5147 | 0.268 | |
H2C12 | 0.4055 | 0.3258 | 0.5127 | 0.268 | |
H3C12 | 0.5297 | 0.3334 | 0.5763 | 0.268 | |
H1C13 | 0.0606 | 0.0853 | 0.2336 | 0.137 | |
H2C13 | 0.1554 | 0.0571 | 0.3066 | 0.137 | |
H1C14 | 0.3161 | 0.0438 | 0.2289 | 0.227 | 0.5 |
H2C14 | 0.2590 | 0.0951 | 0.1620 | 0.227 | 0.5 |
H1'C14 | 0.3250 | 0.0573 | 0.2250 | 0.227 | 0.5 |
H2'C14 | 0.2357 | 0.0899 | 0.1522 | 0.227 | 0.5 |
H1C15 | 0.2441 | 0.0056 | 0.0974 | 0.284 | 0.5 |
H2C15 | 0.0994 | 0.0126 | 0.1306 | 0.284 | 0.5 |
H1C16 | 0.1818 | −0.0877 | 0.1583 | 0.374 | 0.5 |
H2C16 | 0.3047 | −0.0554 | 0.2084 | 0.374 | 0.5 |
H3C16 | 0.1600 | −0.0483 | 0.2416 | 0.374 | 0.5 |
H1C15' | 0.1225 | −0.0031 | 0.1375 | 0.284 | 0.5 |
H2C15' | 0.2154 | −0.0355 | 0.2086 | 0.284 | 0.5 |
H1C16' | 0.2819 | −0.0626 | 0.0838 | 0.374 | 0.5 |
H2C16' | 0.2981 | 0.0129 | 0.0617 | 0.374 | 0.5 |
H3C16' | 0.3909 | −0.0194 | 0.1329 | 0.374 | 0.5 |
H1C17 | 0.2946 | 0.2169 | 0.1576 | 0.126 | |
H2C17 | 0.4147 | 0.2072 | 0.2239 | 0.126 | |
H1C18 | 0.3731 | 0.3079 | 0.2775 | 0.170 | |
H2C18 | 0.2560 | 0.3176 | 0.2091 | 0.170 | |
H1C19 | 0.4070 | 0.3066 | 0.1073 | 0.201 | 0.5 |
H2C19 | 0.5225 | 0.3018 | 0.1775 | 0.201 | 0.5 |
H1'C19 | 0.3880 | 0.3312 | 0.1105 | 0.201 | 0.5 |
H2'C19 | 0.5002 | 0.2863 | 0.1536 | 0.201 | 0.5 |
H1C20 | 0.5171 | 0.4030 | 0.1201 | 0.289 | 0.5 |
H2C20 | 0.3679 | 0.4120 | 0.1448 | 0.289 | 0.5 |
H3C20 | 0.4834 | 0.4071 | 0.2151 | 0.289 | 0.5 |
H1C20' | 0.5688 | 0.3908 | 0.1459 | 0.289 | 0.5 |
H2C20' | 0.4470 | 0.4143 | 0.1970 | 0.289 | 0.5 |
H3C20' | 0.5591 | 0.3694 | 0.2401 | 0.289 | 0.5 |
H1C21 | 0.2582 | 0.2267 | 0.4343 | 0.113 | |
H2C21 | 0.1267 | 0.1844 | 0.4389 | 0.113 | |
H1C22 | 0.0060 | 0.2699 | 0.3871 | 0.135 | |
H2C22 | 0.1374 | 0.3123 | 0.3818 | 0.135 | |
H1C23 | 0.1645 | 0.3148 | 0.5207 | 0.162 | |
H2C23 | 0.0422 | 0.2667 | 0.5295 | 0.162 | |
H1C24 | −0.0159 | 0.3717 | 0.5602 | 0.213 | |
H2C24 | 0.0239 | 0.3952 | 0.4709 | 0.213 | |
H3C24 | −0.0985 | 0.3471 | 0.4798 | 0.213 | |
H1C2Ac1 | 0.8603 | 0.2666 | 0.1485 | 0.164 | |
H2C2Ac1 | 0.7640 | 0.2063 | 0.1623 | 0.164 | |
H3C2Ac1 | 0.7635 | 0.2677 | 0.2231 | 0.164 | |
H1C2Ac2 | 0.2552 | 0.0703 | 0.4332 | 0.134 | |
H2C2Ac2 | 0.3623 | 0.0138 | 0.4477 | 0.134 | |
H3C2Ac2 | 0.3534 | 0.0717 | 0.5132 | 0.134 |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
Sn1 | 0.0449 (3) | 0.1044 (4) | 0.1032 (4) | 0.0041 (3) | 0.0040 (2) | 0.0062 (3) |
Sn2 | 0.0479 (3) | 0.1278 (5) | 0.1088 (5) | −0.0062 (3) | 0.0133 (3) | 0.0125 (4) |
C1 | 0.094 (3) | 0.154 (3) | 0.123 (3) | −0.0056 (1) | 0.0094 (1) | −0.0191 (1) |
C2 | 0.156 (4) | 0.199 (4) | 0.175 (4) | 0.0025 (1) | −0.0142 (2) | −0.0601 (1) |
C3 | 0.207 (5) | 0.245 (5) | 0.234 (5) | 0.0085 (1) | 0.0027 (3) | −0.0625 (1) |
C4 | 0.296 (9) | 0.296 (9) | 0.296 (9) | 0.0000 | 0.0148 (5) | 0.0000 |
C4' | 0.296 (9) | 0.296 (9) | 0.296 (9) | 0.0000 | 0.0148 (5) | 0.0000 |
C5 | 0.074 (2) | 0.113 (2) | 0.110 (2) | 0.0066 (1) | 0.0036 (1) | 0.0145 (1) |
C6 | 0.127 (3) | 0.139 (3) | 0.146 (3) | 0.0217 (1) | −0.0175 (1) | 0.0138 (1) |
C7 | 0.160 (4) | 0.191 (4) | 0.174 (4) | 0.0314 (1) | −0.0491 (2) | 0.0316 (1) |
C8 | 0.189 (6) | 0.189 (6) | 0.189 (6) | 0.0000 | 0.0094 (3) | 0.0000 |
C8' | 0.189 (6) | 0.189 (6) | 0.189 (6) | 0.0000 | 0.0094 (3) | 0.0000 |
C9 | 0.086 (2) | 0.125 (2) | 0.139 (2) | 0.0000 (1) | 0.0150 (2) | 0.0056 (1) |
C10 | 0.151 (3) | 0.118 (3) | 0.176 (3) | −0.0053 (1) | 0.0184 (3) | −0.0192 (1) |
C11 | 0.220 (5) | 0.192 (5) | 0.242 (5) | −0.0091 (1) | 0.0580 (4) | −0.0524 (1) |
C12 | 0.241 (6) | 0.230 (6) | 0.332 (7) | −0.0179 (1) | 0.0262 (3) | −0.0350 (1) |
C13 | 0.094 (3) | 0.159 (3) | 0.159 (3) | −0.0007 (1) | 0.0067 (1) | −0.0098 (1) |
C14 | 0.181 (5) | 0.211 (5) | 0.289 (5) | −0.0123 (1) | 0.0004 (3) | −0.0401 (1) |
C15 | 0.284 (8) | 0.284 (8) | 0.284 (8) | 0.0000 | 0.0142 (4) | 0.0000 |
C16 | 0.374 (9) | 0.374 (9) | 0.374 (9) | 0.0000 | 0.0187 (8) | 0.0000 |
C15' | 0.284 (8) | 0.284 (8) | 0.284 (8) | 0.0000 | 0.0142 (4) | 0.0000 |
C16' | 0.374 (9) | 0.374 (9) | 0.374 (9) | 0.0000 | 0.0187 (8) | 0.0000 |
C17 | 0.082 (3) | 0.157 (3) | 0.141 (3) | −0.0011 (1) | 0.0251 (1) | 0.0283 (1) |
C18 | 0.164 (4) | 0.188 (4) | 0.162 (4) | −0.0204 (1) | 0.0508 (2) | 0.0241 (1) |
C19 | 0.225 (5) | 0.198 (5) | 0.184 (5) | −0.0333 (1) | 0.0596 (2) | 0.0240 (1) |
C20 | 0.289 (9) | 0.289 (9) | 0.289 (9) | 0.0000 | 0.0144 (5) | 0.0000 |
C20' | 0.289 (9) | 0.289 (9) | 0.289 (9) | 0.0000 | 0.0144 (5) | 0.0000 |
C21 | 0.089 (2) | 0.127 (2) | 0.125 (2) | 0.0068 (2) | 0.0003 (1) | −0.0039 (1) |
C22 | 0.124 (3) | 0.144 (3) | 0.136 (3) | 0.0059 (1) | 0.0040 (1) | −0.0133 (1) |
C23 | 0.144 (3) | 0.177 (3) | 0.167 (3) | 0.0012 (1) | 0.0087 (2) | −0.0173 (1) |
C24 | 0.195 (5) | 0.222 (5) | 0.223 (5) | 0.0128 (1) | 0.0300 (2) | −0.0280 (1) |
O1Ac1 | 0.053 (3) | 0.144 (5) | 0.113 (4) | −0.002 (3) | 0.010 (3) | 0.038 (4) |
O2Ac1 | 0.055 (3) | 0.172 (5) | 0.118 (4) | −0.003 (3) | 0.009 (3) | 0.036 (4) |
C1Ac1 | 0.061 (5) | 0.140 (8) | 0.119 (7) | 0.002 (5) | −0.009 (5) | 0.020 (6) |
C2Ac1 | 0.055 (5) | 0.247 (9) | 0.188 (9) | 0.004 (6) | −0.008 (6) | 0.098 (9) |
O1Ac2 | 0.050 (3) | 0.123 (4) | 0.139 (4) | 0.001 (3) | 0.010 (3) | 0.028 (4) |
O2Ac2 | 0.053 (3) | 0.130 (5) | 0.131 (5) | −0.001 (3) | 0.013 (3) | 0.023 (4) |
C1Ac2 | 0.055 (5) | 0.109 (6) | 0.126 (7) | 0.001 (5) | 0.020 (5) | 0.019 (6) |
C2Ac2 | 0.072 (5) | 0.155 (8) | 0.177 (9) | −0.014 (6) | 0.027 (6) | 0.056 (7) |
Geometric parameters (Å, º) top
Sn1—C1 | 2.129 (9) | C14—C15 | 1.441 (11) |
Sn1—C5 | 2.122 (7) | C14—C15' | 1.433 (13) |
Sn1—C9 | 2.105 (9) | C14—H1C14 | 1.000 |
Sn1—O1Ac1 | 2.423 (5) | C14—H2C14 | 1.000 |
Sn1—O1Ac2 | 2.178 (5) | C14—H1'C14 | 1.000 |
Sn2—C13 | 2.112 (10) | C14—H2'C14 | 1.000 |
Sn2—C17 | 2.118 (9) | C15—C16 | 1.425 (18) |
Sn2—C21 | 2.119 (9) | C15—H1C15 | 1.000 |
Sn2—O2Ac1i | 2.180 (5) | C15—H2C15 | 1.000 |
Sn2—O2Ac2 | 2.445 (6) | C16—H1C16 | 1.000 |
C1—C2 | 1.478 (10) | C16—H2C16 | 1.000 |
C1—H1C1 | 1.000 | C16—H3C16 | 1.000 |
C1—H2C1 | 1.000 | C15'—C16' | 1.426 (18) |
C2—C3 | 1.479 (10) | C15'—H1C15' | 1.000 |
C2—H1C2 | 1.000 | C15'—H2C15' | 1.000 |
C2—H2C2 | 1.000 | C16'—H1C16' | 1.000 |
C3—C4 | 1.459 (12) | C16'—H2C16' | 1.000 |
C3—C4' | 1.447 (15) | C16'—H3C16' | 1.000 |
C3—H1C3 | 1.000 | C17—C18 | 1.491 (10) |
C3—H2C3 | 1.000 | C17—H1C17 | 1.000 |
C3—H1'C3 | 1.000 | C17—H2C17 | 1.000 |
C3—H2'C3 | 1.000 | C18—C19 | 1.508 (10) |
C4—H1C4 | 1.000 | C18—H1C18 | 1.000 |
C4—H2C4 | 1.000 | C18—H2C18 | 1.000 |
C4—H3C4 | 1.000 | C19—C20 | 1.482 (12) |
C4'—H1C4' | 1.000 | C19—C20' | 1.466 (15) |
C4'—H2C4' | 1.000 | C19—H1C19 | 1.000 |
C4'—H3C4' | 1.000 | C19—H2C19 | 1.000 |
C5—C6 | 1.487 (8) | C19—H1'C19 | 1.000 |
C5—H1C5 | 1.000 | C19—H2'C19 | 1.000 |
C5—H2C5 | 1.000 | C20—H1C20 | 1.000 |
C6—C7 | 1.486 (8) | C20—H2C20 | 1.000 |
C6—H1C6 | 1.000 | C20—H3C20 | 1.000 |
C6—H2C6 | 1.000 | C20'—H1C20' | 1.000 |
C7—C8 | 1.467 (9) | C20'—H2C20' | 1.000 |
C7—C8' | 1.455 (11) | C20'—H3C20' | 1.000 |
C7—H1C7 | 1.000 | C21—C22 | 1.503 (8) |
C7—H2C7 | 1.000 | C21—H1C21 | 1.000 |
C7—H1'C7 | 1.000 | C21—H2C21 | 1.000 |
C7—H2'C7 | 1.000 | C22—C23 | 1.504 (8) |
C8—H1C8 | 1.000 | C22—H1C22 | 1.000 |
C8—H2C8 | 1.000 | C22—H2C22 | 1.000 |
C8—H3C8 | 1.000 | C23—C24 | 1.501 (9) |
C8'—H1C8' | 1.000 | C23—H1C23 | 1.000 |
C8'—H2C8' | 1.000 | C23—H2C23 | 1.000 |
C8'—H3C8' | 1.000 | C24—H1C24 | 1.000 |
C9—C10 | 1.461 (9) | C24—H2C24 | 1.000 |
C9—H1C9 | 1.000 | C24—H3C24 | 1.000 |
C9—H2C9 | 1.000 | O1Ac1—C1Ac1 | 1.207 (9) |
C10—C11 | 1.459 (9) | O2Ac1—Sn2ii | 2.180 (5) |
C10—H1C10 | 1.000 | O2Ac1—C1Ac1 | 1.294 (9) |
C10—H2C10 | 1.000 | C1Ac1—C2Ac1 | 1.522 (11) |
C11—C12 | 1.430 (12) | C2Ac1—H1C2Ac1 | 1.000 |
C11—H1C11 | 1.000 | C2Ac1—H2C2Ac1 | 1.000 |
C11—H2C11 | 1.000 | C2Ac1—H3C2Ac1 | 1.000 |
C12—H1C12 | 1.000 | O1Ac2—C1Ac2 | 1.260 (8) |
C12—H2C12 | 1.000 | O2Ac2—C1Ac2 | 1.241 (9) |
C12—H3C12 | 1.000 | C1Ac2—C2Ac2 | 1.482 (11) |
C13—C14 | 1.465 (12) | C2Ac2—H1C2Ac2 | 1.000 |
C13—H1C13 | 1.000 | C2Ac2—H2C2Ac2 | 1.000 |
C13—H2C13 | 1.000 | C2Ac2—H3C2Ac2 | 1.000 |
C1—Sn1—C5 | 116.5 (4) | C14—C13—H2C13 | 108.8 |
C1—Sn1—C9 | 122.9 (4) | H1C13—C13—H2C13 | 109.5 |
C1—Sn1—O1Ac1 | 88.8 (3) | C13—C14—C15 | 119.6 (14) |
C1—Sn1—O1Ac2 | 93.7 (3) | C13—C14—C15' | 119.6 (14) |
C5—Sn1—C9 | 119.3 (3) | C13—C14—H1C14 | 106.9 |
C5—Sn1—O1Ac1 | 83.5 (2) | C13—C14—H2C14 | 106.9 |
C5—Sn1—O1Ac2 | 88.5 (2) | C13—C14—H1'C14 | 106.9 |
C9—Sn1—O1Ac1 | 86.0 (3) | C13—C14—H2'C14 | 106.9 |
C9—Sn1—O1Ac2 | 99.0 (3) | C15—C14—H1C14 | 106.9 |
O1Ac1—Sn1—O1Ac2 | 171.9 (2) | C15—C14—H2C14 | 106.9 |
C13—Sn2—C17 | 115.0 (4) | C15'—C14—H1'C14 | 106.9 |
C13—Sn2—C21 | 123.7 (4) | C15'—C14—H2'C14 | 106.9 |
C13—Sn2—O2Ac1i | 94.5 (3) | H1C14—C14—H2C14 | 109.5 |
C13—Sn2—O2Ac2 | 88.2 (3) | H1'C14—C14—H2'C14 | 109.5 |
C17—Sn2—C21 | 119.9 (4) | C14—C15—C16 | 107.1 (12) |
C17—Sn2—O2Ac1i | 89.1 (3) | C14—C15—H1C15 | 110.1 |
C17—Sn2—O2Ac2 | 84.6 (3) | C14—C15—H2C15 | 110.1 |
C21—Sn2—O2Ac1i | 97.8 (3) | C16—C15—H1C15 | 110.1 |
C21—Sn2—O2Ac2 | 85.4 (3) | C16—C15—H2C15 | 110.1 |
O2Ac1i—Sn2—O2Ac2 | 173.7 (2) | H1C15—C15—H2C15 | 109.5 |
Sn1—C1—C2 | 115.7 (7) | C15—C16—H1C16 | 109.5 |
Sn1—C1—H1C1 | 107.9 | C15—C16—H2C16 | 109.5 |
Sn1—C1—H2C1 | 107.9 | C15—C16—H3C16 | 109.5 |
C2—C1—H1C1 | 107.9 | H1C16—C16—H2C16 | 109.5 |
C2—C1—H2C1 | 107.9 | H1C16—C16—H3C16 | 109.5 |
H1C1—C1—H2C1 | 109.5 | H2C16—C16—H3C16 | 109.5 |
C1—C2—C3 | 113.0 (11) | C14—C15'—C16' | 111.3 (12) |
C1—C2—H1C2 | 108.6 | C14—C15'—H1C15' | 109.0 |
C1—C2—H2C2 | 108.6 | C14—C15'—H2C15' | 109.0 |
C3—C2—H1C2 | 108.6 | C16'—C15'—H1C15' | 109.0 |
C3—C2—H2C2 | 108.6 | C16'—C15'—H2C15' | 109.0 |
H1C2—C2—H2C2 | 109.5 | H1C15'—C15'—H2C15' | 109.5 |
C2—C3—C4 | 110.6 (15) | C15'—C16'—H1C16' | 109.5 |
C2—C3—C4' | 110.7 (15) | C15'—C16'—H2C16' | 109.5 |
C2—C3—H1C3 | 109.2 | C15'—C16'—H3C16' | 109.5 |
C2—C3—H2C3 | 109.2 | H1C16'—C16'—H2C16' | 109.5 |
C2—C3—H1'C3 | 109.2 | H1C16'—C16'—H3C16' | 109.5 |
C2—C3—H2'C3 | 109.2 | H2C16'—C16'—H3C16' | 109.5 |
C4—C3—H1C3 | 109.2 | Sn2—C17—C18 | 118.5 (7) |
C4—C3—H2C3 | 109.2 | Sn2—C17—H1C17 | 107.2 |
C4'—C3—H1'C3 | 109.2 | Sn2—C17—H2C17 | 107.2 |
C4'—C3—H2'C3 | 109.2 | C18—C17—H1C17 | 107.2 |
H1C3—C3—H2C3 | 109.5 | C18—C17—H2C17 | 107.2 |
H1'C3—C3—H2'C3 | 109.5 | H1C17—C17—H2C17 | 109.5 |
C3—C4—H1C4 | 109.5 | C17—C18—C19 | 110.5 (11) |
C3—C4—H2C4 | 109.5 | C17—C18—H1C18 | 109.2 |
C3—C4—H3C4 | 109.5 | C17—C18—H2C18 | 109.2 |
H1C4—C4—H2C4 | 109.5 | C19—C18—H1C18 | 109.2 |
H1C4—C4—H3C4 | 109.5 | C19—C18—H2C18 | 109.2 |
H2C4—C4—H3C4 | 109.5 | H1C18—C18—H2C18 | 109.5 |
C3—C4'—H1C4' | 109.5 | C18—C19—C20 | 115.3 (14) |
C3—C4'—H2C4' | 109.5 | C18—C19—C20' | 115.3 (14) |
C3—C4'—H3C4' | 109.5 | C18—C19—H1C19 | 108.0 |
H1C4'—C4'—H2C4' | 109.5 | C18—C19—H2C19 | 108.0 |
H1C4'—C4'—H3C4' | 109.5 | C18—C19—H1'C19 | 108.0 |
H2C4'—C4'—H3C4' | 109.5 | C18—C19—H2'C19 | 108.0 |
Sn1—C5—C6 | 116.9 (6) | C20—C19—H1C19 | 108.0 |
Sn1—C5—H1C5 | 107.6 | C20—C19—H2C19 | 108.0 |
Sn1—C5—H2C5 | 107.6 | C20'—C19—H1'C19 | 108.0 |
C6—C5—H1C5 | 107.6 | C20'—C19—H2'C19 | 108.0 |
C6—C5—H2C5 | 107.6 | H1C19—C19—H2C19 | 109.5 |
H1C5—C5—H2C5 | 109.5 | H1'C19—C19—H2'C19 | 109.5 |
C5—C6—C7 | 115.3 (9) | C19—C20—H1C20 | 109.5 |
C5—C6—H1C6 | 108.0 | C19—C20—H2C20 | 109.5 |
C5—C6—H2C6 | 108.0 | C19—C20—H3C20 | 109.5 |
C7—C6—H1C6 | 108.0 | H1C20—C20—H2C20 | 109.5 |
C7—C6—H2C6 | 108.0 | H1C20—C20—H3C20 | 109.5 |
H1C6—C6—H2C6 | 109.5 | H2C20—C20—H3C20 | 109.5 |
C6—C7—C8 | 116.9 (11) | C19—C20'—H1C20' | 109.5 |
C6—C7—C8' | 117.0 (11) | C19—C20'—H2C20' | 109.5 |
C6—C7—H1C7 | 107.6 | C19—C20'—H3C20' | 109.5 |
C6—C7—H2C7 | 107.6 | H1C20'—C20'—H2C20' | 109.5 |
C6—C7—H1'C7 | 107.6 | H1C20'—C20'—H3C20' | 109.5 |
C6—C7—H2'C7 | 107.6 | H2C20'—C20'—H3C20' | 109.5 |
C8—C7—H1C7 | 107.6 | Sn2—C21—C22 | 118.6 (7) |
C8—C7—H2C7 | 107.6 | Sn2—C21—H1C21 | 107.2 |
C8'—C7—H1'C7 | 107.6 | Sn2—C21—H2C21 | 107.2 |
C8'—C7—H2'C7 | 107.6 | C22—C21—H1C21 | 107.2 |
H1C7—C7—H2C7 | 109.5 | C22—C21—H2C21 | 107.2 |
H1'C7—C7—H2'C7 | 109.5 | H1C21—C21—H2C21 | 109.5 |
C7—C8—H1C8 | 109.5 | C21—C22—C23 | 114.7 (9) |
C7—C8—H2C8 | 109.5 | C21—C22—H1C22 | 108.2 |
C7—C8—H3C8 | 109.5 | C21—C22—H2C22 | 108.2 |
H1C8—C8—H2C8 | 109.5 | C23—C22—H1C22 | 108.2 |
H1C8—C8—H3C8 | 109.5 | C23—C22—H2C22 | 108.2 |
H2C8—C8—H3C8 | 109.5 | H1C22—C22—H2C22 | 109.5 |
C7—C8'—H1C8' | 109.5 | C22—C23—C24 | 114.6 (11) |
C7—C8'—H2C8' | 109.5 | C22—C23—H1C23 | 108.2 |
C7—C8'—H3C8' | 109.5 | C22—C23—H2C23 | 108.2 |
H1C8'—C8'—H2C8' | 109.5 | C24—C23—H1C23 | 108.2 |
H1C8'—C8'—H3C8' | 109.5 | C24—C23—H2C23 | 108.2 |
H2C8'—C8'—H3C8' | 109.5 | H1C23—C23—H2C23 | 109.5 |
Sn1—C9—C10 | 120.6 (7) | C23—C24—H1C24 | 109.5 |
Sn1—C9—H1C9 | 106.6 | C23—C24—H2C24 | 109.5 |
Sn1—C9—H2C9 | 106.6 | C23—C24—H3C24 | 109.5 |
C10—C9—H1C9 | 106.6 | H1C24—C24—H2C24 | 109.5 |
C10—C9—H2C9 | 106.6 | H1C24—C24—H3C24 | 109.5 |
H1C9—C9—H2C9 | 109.5 | H2C24—C24—H3C24 | 109.5 |
C9—C10—C11 | 113.5 (11) | Sn1—O1Ac1—C1Ac1 | 138.4 (5) |
C9—C10—H1C10 | 108.5 | Sn2ii—O2Ac1—C1Ac1 | 120.0 (5) |
C9—C10—H2C10 | 108.5 | O1Ac1—C1Ac1—O2Ac1 | 123.9 (8) |
C11—C10—H1C10 | 108.5 | O1Ac1—C1Ac1—C2Ac1 | 122.5 (8) |
C11—C10—H2C10 | 108.5 | O2Ac1—C1Ac1—C2Ac1 | 113.6 (9) |
H1C10—C10—H2C10 | 109.5 | C1Ac1—C2Ac1—H1C2Ac1 | 109.5 |
C10—C11—C12 | 121.3 (16) | C1Ac1—C2Ac1—H2C2Ac1 | 109.5 |
C10—C11—H1C11 | 106.4 | C1Ac1—C2Ac1—H3C2Ac1 | 109.5 |
C10—C11—H2C11 | 106.4 | H1C2Ac1—C2Ac1—H2C2Ac1 | 109.5 |
C12—C11—H1C11 | 106.4 | H1C2Ac1—C2Ac1—H3C2Ac1 | 109.5 |
C12—C11—H2C11 | 106.4 | H2C2Ac1—C2Ac1—H3C2Ac1 | 109.5 |
H1C11—C11—H2C11 | 109.5 | Sn1—O1Ac2—C1Ac2 | 121.4 (5) |
C11—C12—H1C12 | 109.5 | Sn2—O2Ac2—C1Ac2 | 140.1 (5) |
C11—C12—H2C12 | 109.5 | O1Ac2—C1Ac2—O2Ac2 | 122.5 (7) |
C11—C12—H3C12 | 109.5 | O1Ac2—C1Ac2—C2Ac2 | 116.3 (8) |
H1C12—C12—H2C12 | 109.5 | O2Ac2—C1Ac2—C2Ac2 | 121.2 (7) |
H1C12—C12—H3C12 | 109.5 | C1Ac2—C2Ac2—H1C2Ac2 | 109.5 |
H2C12—C12—H3C12 | 109.5 | C1Ac2—C2Ac2—H2C2Ac2 | 109.5 |
Sn2—C13—C14 | 112.0 (9) | C1Ac2—C2Ac2—H3C2Ac2 | 109.5 |
Sn2—C13—H1C13 | 108.8 | H1C2Ac2—C2Ac2—H2C2Ac2 | 109.5 |
Sn2—C13—H2C13 | 108.8 | H1C2Ac2—C2Ac2—H3C2Ac2 | 109.5 |
C14—C13—H1C13 | 108.8 | H2C2Ac2—C2Ac2—H3C2Ac2 | 109.5 |
Symmetry codes: (i) x−1, y, z; (ii) x+1, y, z. |