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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
CCDC reference: 601206
Key indicators
- Single-crystal X-ray study
- T = 294 K
- Mean (C-C) = 0.016 Å
- Disorder in main residue
- R factor = 0.053
- wR factor = 0.060
- Data-to-parameter ratio = 19.0
checkCIF/PLATON results
No syntax errors found
Alert level A
PLAT241_ALERT_2_A Check High Ueq as Compared to Neighbors for C16
| Author Response: 'See _publ_section_exptl_refinement'
|
PLAT241_ALERT_2_A Check High Ueq as Compared to Neighbors for C16'
| Author Response: 'See _publ_section_exptl_refinement'
|
Alert level B
PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.90 Ratio
PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for C4
| Author Response: 'See _publ_section_exptl_refinement'
|
PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for C4'
| Author Response: 'See _publ_section_exptl_refinement'
|
PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for C20
| Author Response: 'See _publ_section_exptl_refinement'
|
PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for C20'
| Author Response: 'See _publ_section_exptl_refinement'
|
PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C15
PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C15'
PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C19
Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 0.50 Ratio
PLAT150_ALERT_1_C Volume as Calculated Differs from that Given ... 3599.00 Ang-3
PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.78 Ratio
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 C1AC1
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 C1AC2
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C10
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C13
PLAT301_ALERT_3_C Main Residue Disorder ......................... 13.00 Perc.
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 16
PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C11 - C12 ... 1.43 Ang.
PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety C2AC1
PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety C2AC2
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 90
PLAT731_ALERT_1_C Bond Calc 1.43(3), Rep 1.430(12) ...... 2.50 su-Rat
C11 -C12 1.555 1.555
PLAT731_ALERT_1_C Bond Calc 1.50(2), Rep 1.501(9) ...... 2.22 su-Rat
C23 -C24 1.555 1.555
2 ALERT level A = In general: serious problem
8 ALERT level B = Potentially serious problem
20 ALERT level C = Check and explain
0 ALERT level G = General alerts; check
6 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
18 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
3 ALERT type 4 Improvement, methodology, query or suggestion
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. |
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