| Literature DB >> 22090883 |
Yip-Foo Win, Chen-Shang Choong, Siang-Guan Teoh, Chin Sing Yeap, Hoong-Kun Fun.
Abstract
In the title complex, [Sn(4)(C(4)H(9))(8)(C(7)H(5)N(2)O(4))(4)O(2)], all four Sn(IV) atoms are five-coordinated with distorted trigonal-bipyramidal SnC(2)O(3) geometries. Two Sn(IV) atoms are coordin-ated by two butyl groups, one benzoate O atom and two bridging O atoms, whereas the other two Sn(IV) atoms are coordinated by two butyl groups, two benzoate O atoms and a bridging O atom. All the butyl groups are equatorial with respect to the SnO(3) trigonal plane. In the crystal, mol-ecules are linked into a two-dimensional layer parallel to the ab plane by inter-molecular N-H⋯O and C-H⋯O hydrogen bonds and further stabilized by a π-π inter-action [centroid-centroid distance = 3.6489 (11) Å]. Intra-molecular N-H⋯O and C-H⋯O hydrogen bonds stabilize the mol-ecular structure. Two of the butyl groups are each disordered over two sets of sites with site-occupancy ratios of 0.510 (4):0.490 (4) and 0.860 (5):0.140 (5).Entities:
Year: 2011 PMID: 22090883 PMCID: PMC3212181 DOI: 10.1107/S1600536811028212
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Sn4(C4H9)8(C7H5N2O4)4O2] | |
| Triclinic, | |
| Hall symbol: -P 1 | Mo |
| Cell parameters from 9105 reflections | |
| θ = 2.3–34.5° | |
| µ = 1.47 mm−1 | |
| α = 80.289 (1)° | |
| β = 74.982 (1)° | Block, yellow |
| γ = 65.631 (1)° | 0.45 × 0.19 × 0.07 mm |
| Bruker SMART APEXII CCD area-detector diffractometer | 29672 independent reflections |
| Radiation source: fine-focus sealed tube | 23074 reflections with |
| graphite | |
| φ and ω scans | θmax = 34.7°, θmin = 1.2° |
| Absorption correction: multi-scan ( | |
| 110407 measured reflections |
| Refinement on | Primary atom site location: structure-invariant direct methods |
| Least-squares matrix: full | Secondary atom site location: difference Fourier map |
| Hydrogen site location: inferred from neighbouring sites | |
| H atoms treated by a mixture of independent and constrained refinement | |
| 29672 reflections | (Δ/σ)max = 0.003 |
| 906 parameters | Δρmax = 2.67 e Å−3 |
| 0 restraints | Δρmin = −1.48 e Å−3 |
| Experimental. The crystal was placed in the cold stream of an Oxford Cryosystems Cobra open-flow nitrogen cryostat (Cosier & Glazer, 1986) operating at 100.0 (1) K. |
| Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
| Refinement. Refinement of |
| Occ. (<1) | |||||
| Sn1 | 0.615883 (9) | 0.312195 (8) | 0.235446 (7) | 0.01671 (3) | |
| Sn2 | 0.844716 (8) | 0.170539 (8) | 0.276260 (7) | 0.01463 (3) | |
| Sn3 | 0.726881 (9) | 0.058100 (8) | 0.183349 (8) | 0.01861 (3) | |
| Sn4 | 0.737168 (9) | 0.429485 (8) | 0.317647 (7) | 0.01379 (2) | |
| O1 | 0.72397 (9) | 0.17492 (8) | 0.22430 (8) | 0.0187 (2) | |
| O2 | 0.73553 (9) | 0.30762 (8) | 0.28821 (7) | 0.0172 (2) | |
| O3 | 0.54677 (10) | 0.12840 (9) | 0.19435 (8) | 0.0225 (3) | |
| O4 | 0.52363 (11) | 0.28179 (10) | 0.16622 (10) | 0.0287 (3) | |
| O5 | 0.06846 (11) | 0.48611 (11) | 0.12433 (10) | 0.0354 (4) | |
| O6 | 0.20536 (12) | 0.51919 (10) | 0.11020 (9) | 0.0289 (3) | |
| O7 | 0.89082 (10) | 0.00652 (9) | 0.19418 (8) | 0.0192 (2) | |
| O8 | 0.88365 (10) | −0.11355 (10) | 0.14687 (8) | 0.0242 (3) | |
| O9 | 1.21758 (12) | −0.00267 (10) | 0.22356 (9) | 0.0292 (3) | |
| O10 | 1.35710 (11) | −0.13356 (11) | 0.21556 (9) | 0.0318 (3) | |
| O11 | 0.92936 (10) | 0.20281 (9) | 0.35023 (7) | 0.0187 (2) | |
| O12 | 0.91575 (10) | 0.35208 (9) | 0.31013 (8) | 0.0190 (2) | |
| O13 | 1.24913 (12) | −0.04123 (10) | 0.39659 (9) | 0.0298 (3) | |
| O14 | 1.39161 (12) | −0.01430 (11) | 0.37262 (10) | 0.0353 (4) | |
| O15 | 0.57450 (9) | 0.48247 (9) | 0.30492 (7) | 0.0176 (2) | |
| O16 | 0.58029 (10) | 0.60183 (9) | 0.35400 (7) | 0.0195 (2) | |
| O17 | 0.24990 (12) | 0.48413 (11) | 0.27848 (10) | 0.0312 (3) | |
| O18 | 0.10145 (12) | 0.59988 (12) | 0.31533 (11) | 0.0367 (4) | |
| N1 | 0.16269 (12) | 0.46123 (12) | 0.12192 (10) | 0.0225 (3) | |
| N2 | 0.39713 (13) | 0.07371 (11) | 0.18058 (10) | 0.0211 (3) | |
| N3 | 1.26428 (12) | −0.08903 (12) | 0.21179 (9) | 0.0211 (3) | |
| N4 | 1.04704 (14) | −0.28197 (12) | 0.14185 (11) | 0.0248 (3) | |
| N5 | 1.29631 (13) | 0.01373 (12) | 0.37831 (10) | 0.0235 (3) | |
| N6 | 1.07285 (13) | 0.40233 (12) | 0.31479 (10) | 0.0212 (3) | |
| N7 | 0.19774 (13) | 0.56302 (12) | 0.30606 (10) | 0.0254 (3) | |
| N8 | 0.40377 (14) | 0.75500 (12) | 0.39207 (10) | 0.0229 (3) | |
| C1 | 0.49264 (14) | 0.21414 (13) | 0.17427 (11) | 0.0194 (3) | |
| C2 | 0.38675 (13) | 0.23784 (12) | 0.15991 (10) | 0.0155 (3) | |
| C3 | 0.32634 (13) | 0.33358 (12) | 0.14445 (10) | 0.0166 (3) | |
| H3A | 0.3545 | 0.3807 | 0.1409 | 0.020* | |
| C4 | 0.22574 (13) | 0.36082 (12) | 0.13420 (10) | 0.0181 (3) | |
| C5 | 0.18189 (14) | 0.29339 (14) | 0.13872 (11) | 0.0208 (3) | |
| H5A | 0.1122 | 0.3131 | 0.1322 | 0.025* | |
| C6 | 0.24094 (14) | 0.19865 (13) | 0.15260 (11) | 0.0197 (3) | |
| H6A | 0.2121 | 0.1525 | 0.1542 | 0.024* | |
| C7 | 0.34398 (13) | 0.16758 (12) | 0.16469 (10) | 0.0163 (3) | |
| C8 | 0.93483 (13) | −0.07913 (12) | 0.17050 (11) | 0.0181 (3) | |
| C9 | 1.04682 (13) | −0.13431 (12) | 0.17266 (10) | 0.0165 (3) | |
| C10 | 1.10336 (13) | −0.08855 (12) | 0.19018 (10) | 0.0164 (3) | |
| H10A | 1.0698 | −0.0229 | 0.2007 | 0.020* | |
| C11 | 1.20830 (13) | −0.13792 (13) | 0.19243 (10) | 0.0178 (3) | |
| C12 | 1.26059 (14) | −0.23398 (13) | 0.17577 (11) | 0.0214 (4) | |
| H12A | 1.3328 | −0.2668 | 0.1768 | 0.026* | |
| C13 | 1.20658 (15) | −0.28020 (13) | 0.15796 (11) | 0.0222 (4) | |
| H13A | 1.2423 | −0.3453 | 0.1461 | 0.027* | |
| C14 | 1.09805 (14) | −0.23306 (12) | 0.15676 (10) | 0.0185 (3) | |
| C15 | 0.96620 (13) | 0.26731 (12) | 0.33423 (10) | 0.0156 (3) | |
| C16 | 1.07532 (13) | 0.24094 (12) | 0.34266 (10) | 0.0153 (3) | |
| C17 | 1.13392 (13) | 0.14435 (12) | 0.35820 (10) | 0.0164 (3) | |
| H17A | 1.1025 | 0.0990 | 0.3653 | 0.020* | |
| C18 | 1.23695 (14) | 0.11414 (13) | 0.36337 (10) | 0.0193 (3) | |
| C19 | 1.28521 (14) | 0.17921 (14) | 0.35424 (11) | 0.0219 (4) | |
| H19A | 1.3565 | 0.1573 | 0.3577 | 0.026* | |
| C20 | 1.22869 (14) | 0.27455 (14) | 0.34031 (11) | 0.0202 (3) | |
| H20A | 1.2607 | 0.3189 | 0.3359 | 0.024* | |
| C21 | 1.12296 (13) | 0.30873 (13) | 0.33225 (10) | 0.0164 (3) | |
| C22 | 0.52883 (13) | 0.56598 (12) | 0.33300 (10) | 0.0159 (3) | |
| C23 | 0.41350 (13) | 0.61543 (12) | 0.34005 (10) | 0.0155 (3) | |
| C24 | 0.35931 (14) | 0.57013 (12) | 0.31860 (10) | 0.0178 (3) | |
| H24A | 0.3967 | 0.5097 | 0.2974 | 0.021* | |
| C25 | 0.25170 (14) | 0.61226 (13) | 0.32779 (11) | 0.0192 (3) | |
| C26 | 0.19400 (14) | 0.70151 (14) | 0.35846 (11) | 0.0225 (4) | |
| H26A | 0.1198 | 0.7294 | 0.3651 | 0.027* | |
| C27 | 0.24589 (14) | 0.74797 (13) | 0.37865 (11) | 0.0216 (4) | |
| H27A | 0.2070 | 0.8089 | 0.3988 | 0.026* | |
| C28 | 0.35682 (13) | 0.70719 (12) | 0.37021 (10) | 0.0173 (3) | |
| C29 | 0.64551 (14) | 0.39952 (12) | 0.13608 (11) | 0.0191 (3) | |
| H29A | 0.7014 | 0.4193 | 0.1404 | 0.023* | |
| H29B | 0.6729 | 0.3602 | 0.0916 | 0.023* | |
| C30 | 0.55173 (14) | 0.48939 (13) | 0.12021 (11) | 0.0201 (3) | |
| H30A | 0.5282 | 0.5325 | 0.1618 | 0.024* | |
| H30B | 0.4933 | 0.4711 | 0.1197 | 0.024* | |
| C31 | 0.57773 (16) | 0.54309 (13) | 0.04414 (11) | 0.0228 (4) | |
| H31A | 0.6420 | 0.5538 | 0.0419 | 0.027* | |
| H31B | 0.5923 | 0.5030 | 0.0021 | 0.027* | |
| C32 | 0.48907 (18) | 0.63928 (15) | 0.03270 (12) | 0.0308 (5) | |
| H32A | 0.5051 | 0.6668 | −0.0193 | 0.046* | |
| H32B | 0.4818 | 0.6829 | 0.0693 | 0.046* | |
| H32C | 0.4234 | 0.6299 | 0.0407 | 0.046* | |
| C33 | 0.5020 (6) | 0.2954 (5) | 0.3247 (3) | 0.0172 (10) | 0.510 (4) |
| H33A | 0.4337 | 0.3458 | 0.3175 | 0.021* | 0.510 (4) |
| H33B | 0.4989 | 0.2329 | 0.3219 | 0.021* | 0.510 (4) |
| C34 | 0.5145 (3) | 0.2996 (3) | 0.4045 (2) | 0.0198 (8) | 0.510 (4) |
| H34A | 0.4913 | 0.3674 | 0.4151 | 0.024* | 0.510 (4) |
| H34B | 0.5895 | 0.2669 | 0.4068 | 0.024* | 0.510 (4) |
| C35 | 0.4506 (3) | 0.2521 (3) | 0.4662 (2) | 0.0222 (8) | 0.510 (4) |
| H35A | 0.4445 | 0.2726 | 0.5165 | 0.027* | 0.510 (4) |
| H35B | 0.3790 | 0.2753 | 0.4566 | 0.027* | 0.510 (4) |
| C36 | 0.4977 (4) | 0.1437 (3) | 0.4690 (3) | 0.0334 (11) | 0.510 (4) |
| H36A | 0.4505 | 0.1185 | 0.5066 | 0.050* | 0.510 (4) |
| H36B | 0.5657 | 0.1197 | 0.4837 | 0.050* | 0.510 (4) |
| H36C | 0.5074 | 0.1226 | 0.4187 | 0.050* | 0.510 (4) |
| C33X | 0.5016 (6) | 0.3117 (5) | 0.3451 (4) | 0.0197 (11) | 0.490 (4) |
| H33C | 0.5049 | 0.3525 | 0.3802 | 0.024* | 0.490 (4) |
| H33D | 0.4297 | 0.3390 | 0.3354 | 0.024* | 0.490 (4) |
| C34X | 0.5250 (3) | 0.2105 (3) | 0.3824 (2) | 0.0204 (8) | 0.490 (4) |
| H34C | 0.5976 | 0.1829 | 0.3905 | 0.025* | 0.490 (4) |
| H34D | 0.5204 | 0.1704 | 0.3473 | 0.025* | 0.490 (4) |
| C35X | 0.4502 (4) | 0.2068 (3) | 0.4586 (2) | 0.0246 (9) | 0.490 (4) |
| H35C | 0.4602 | 0.2408 | 0.4956 | 0.030* | 0.490 (4) |
| H35D | 0.3770 | 0.2404 | 0.4517 | 0.030* | 0.490 (4) |
| C36X | 0.4675 (4) | 0.1043 (3) | 0.4908 (3) | 0.0313 (10) | 0.490 (4) |
| H36D | 0.4142 | 0.1051 | 0.5373 | 0.047* | 0.490 (4) |
| H36E | 0.5373 | 0.0728 | 0.5027 | 0.047* | 0.490 (4) |
| H36F | 0.4620 | 0.0691 | 0.4530 | 0.047* | 0.490 (4) |
| C37 | 0.96067 (14) | 0.18908 (13) | 0.18150 (10) | 0.0191 (3) | |
| H37A | 0.9601 | 0.2535 | 0.1824 | 0.023* | |
| H37B | 1.0300 | 0.1419 | 0.1897 | 0.023* | |
| C38 | 0.95222 (16) | 0.17938 (15) | 0.10179 (11) | 0.0244 (4) | |
| H38A | 0.8778 | 0.2104 | 0.0978 | 0.029* | |
| H38B | 0.9770 | 0.1107 | 0.0936 | 0.029* | |
| C39 | 1.01647 (16) | 0.22486 (15) | 0.03967 (11) | 0.0261 (4) | |
| H39A | 1.0870 | 0.2042 | 0.0507 | 0.031* | |
| H39B | 1.0255 | 0.2008 | −0.0099 | 0.031* | |
| C40 | 0.96720 (18) | 0.33400 (15) | 0.03267 (12) | 0.0296 (4) | |
| H40A | 1.0127 | 0.3583 | −0.0075 | 0.044* | |
| H40B | 0.9588 | 0.3586 | 0.0812 | 0.044* | |
| H40C | 0.8985 | 0.3552 | 0.0198 | 0.044* | |
| C41 | 0.82967 (14) | 0.06716 (13) | 0.36786 (11) | 0.0199 (3) | |
| H41A | 0.7955 | 0.0998 | 0.4159 | 0.024* | |
| H41B | 0.7838 | 0.0382 | 0.3588 | 0.024* | |
| C42 | 0.93581 (15) | −0.01281 (13) | 0.37689 (11) | 0.0240 (4) | |
| H42A | 0.9678 | −0.0476 | 0.3298 | 0.029* | |
| H42B | 0.9830 | 0.0168 | 0.3826 | 0.029* | |
| C43 | 0.92831 (17) | −0.08493 (14) | 0.44502 (11) | 0.0259 (4) | |
| H43A | 1.0000 | −0.1274 | 0.4516 | 0.031* | |
| H43B | 0.8913 | −0.0497 | 0.4916 | 0.031* | |
| C44 | 0.8716 (2) | −0.14621 (16) | 0.43712 (14) | 0.0355 (5) | |
| H44A | 0.8760 | −0.1949 | 0.4799 | 0.053* | |
| H44B | 0.9043 | −0.1776 | 0.3891 | 0.053* | |
| H44C | 0.7979 | −0.1057 | 0.4373 | 0.053* | |
| C45 | 0.68765 (15) | −0.03894 (13) | 0.27141 (12) | 0.0231 (4) | |
| H45A | 0.7491 | −0.0768 | 0.2947 | 0.028* | |
| H45B | 0.6299 | −0.0020 | 0.3115 | 0.028* | |
| C46 | 0.65399 (16) | −0.10772 (13) | 0.24266 (13) | 0.0256 (4) | |
| H46A | 0.5888 | −0.0700 | 0.2237 | 0.031* | |
| H46B | 0.7090 | −0.1400 | 0.1992 | 0.031* | |
| C47 | 0.63512 (16) | −0.18382 (14) | 0.30332 (13) | 0.0287 (4) | |
| H47A | 0.5859 | −0.1518 | 0.3490 | 0.034* | |
| H47B | 0.6013 | −0.2171 | 0.2837 | 0.034* | |
| C48 | 0.7341 (2) | −0.25768 (16) | 0.32661 (15) | 0.0371 (5) | |
| H48A | 0.7178 | −0.3086 | 0.3605 | 0.056* | |
| H48B | 0.7624 | −0.2270 | 0.3533 | 0.056* | |
| H48C | 0.7862 | −0.2852 | 0.2811 | 0.056* | |
| C49 | 0.75241 (19) | 0.08989 (19) | 0.06048 (14) | 0.0246 (5) | 0.860 (5) |
| H49A | 0.6955 | 0.1512 | 0.0495 | 0.030* | 0.860 (5) |
| H49C | 0.8190 | 0.0998 | 0.0434 | 0.030* | 0.860 (5) |
| C50 | 0.75720 (19) | 0.01522 (19) | 0.01225 (14) | 0.0287 (6) | 0.860 (5) |
| H50A | 0.7807 | 0.0332 | −0.0421 | 0.034* | 0.860 (5) |
| H50B | 0.8109 | −0.0473 | 0.0254 | 0.034* | 0.860 (5) |
| C51 | 0.6545 (2) | 0.00274 (17) | 0.02148 (15) | 0.0274 (6) | 0.860 (5) |
| H51A | 0.6681 | −0.0519 | −0.0073 | 0.033* | 0.860 (5) |
| H51B | 0.6298 | −0.0135 | 0.0760 | 0.033* | 0.860 (5) |
| C52 | 0.5679 (2) | 0.0905 (2) | −0.00562 (17) | 0.0287 (6) | 0.860 (5) |
| H52A | 0.5055 | 0.0764 | 0.0004 | 0.043* | 0.860 (5) |
| H52B | 0.5917 | 0.1077 | −0.0595 | 0.043* | 0.860 (5) |
| H52C | 0.5507 | 0.1441 | 0.0247 | 0.043* | 0.860 (5) |
| C49X | 0.7335 (13) | 0.0636 (12) | 0.0793 (9) | 0.023 (3)* | 0.140 (5) |
| H49B | 0.6881 | 0.1290 | 0.0633 | 0.028* | 0.140 (5) |
| H49D | 0.8063 | 0.0527 | 0.0520 | 0.028* | 0.140 (5) |
| C50X | 0.7001 (13) | −0.0089 (11) | 0.0539 (9) | 0.029 (3)* | 0.140 (5) |
| H50C | 0.7556 | −0.0734 | 0.0588 | 0.035* | 0.140 (5) |
| H50D | 0.6357 | −0.0093 | 0.0905 | 0.035* | 0.140 (5) |
| C51X | 0.6803 (13) | 0.0057 (12) | −0.0225 (10) | 0.030 (4)* | 0.140 (5) |
| H51C | 0.6740 | −0.0521 | −0.0342 | 0.035* | 0.140 (5) |
| H51D | 0.7410 | 0.0134 | −0.0596 | 0.035* | 0.140 (5) |
| C52X | 0.5818 (17) | 0.0924 (16) | −0.0327 (11) | 0.029 (3)* | 0.140 (5) |
| H52D | 0.5658 | 0.0920 | −0.0818 | 0.043* | 0.140 (5) |
| H52E | 0.5928 | 0.1509 | −0.0316 | 0.043* | 0.140 (5) |
| H52F | 0.5231 | 0.0903 | 0.0086 | 0.043* | 0.140 (5) |
| C53 | 0.71291 (16) | 0.41534 (15) | 0.43874 (11) | 0.0243 (4) | |
| H53A | 0.6413 | 0.4169 | 0.4599 | 0.029* | |
| H53B | 0.7628 | 0.3516 | 0.4540 | 0.029* | |
| C54 | 0.72566 (16) | 0.49149 (16) | 0.47538 (11) | 0.0273 (4) | |
| H54A | 0.6736 | 0.5551 | 0.4623 | 0.033* | |
| H54B | 0.7096 | 0.4794 | 0.5315 | 0.033* | |
| C55 | 0.83427 (17) | 0.49452 (16) | 0.45111 (13) | 0.0299 (4) | |
| H55A | 0.8477 | 0.5130 | 0.3958 | 0.036* | |
| H55B | 0.8871 | 0.4295 | 0.4596 | 0.036* | |
| C56 | 0.8481 (2) | 0.56420 (19) | 0.49380 (14) | 0.0392 (6) | |
| H56A | 0.9191 | 0.5633 | 0.4753 | 0.059* | |
| H56B | 0.8374 | 0.5451 | 0.5485 | 0.059* | |
| H56C | 0.7968 | 0.6290 | 0.4851 | 0.059* | |
| C57 | 0.79555 (14) | 0.50760 (13) | 0.22150 (10) | 0.0197 (3) | |
| H57A | 0.8425 | 0.5299 | 0.2375 | 0.024* | |
| H57B | 0.8397 | 0.4617 | 0.1821 | 0.024* | |
| C58 | 0.71941 (15) | 0.59374 (12) | 0.18323 (10) | 0.0193 (3) | |
| H58A | 0.6764 | 0.6423 | 0.2208 | 0.023* | |
| H58B | 0.6716 | 0.5734 | 0.1663 | 0.023* | |
| C59 | 0.77550 (18) | 0.63886 (16) | 0.11475 (12) | 0.0310 (5) | |
| H59A | 0.8171 | 0.5906 | 0.0767 | 0.037* | |
| H59B | 0.8248 | 0.6573 | 0.1316 | 0.037* | |
| C60 | 0.7005 (2) | 0.72705 (16) | 0.07678 (13) | 0.0352 (5) | |
| H60A | 0.7410 | 0.7555 | 0.0357 | 0.053* | |
| H60B | 0.6567 | 0.7740 | 0.1147 | 0.053* | |
| H60C | 0.6559 | 0.7082 | 0.0556 | 0.053* | |
| H1N2 | 0.363 (2) | 0.0372 (19) | 0.1916 (15) | 0.038 (7)* | |
| H2N2 | 0.456 (2) | 0.0581 (17) | 0.1905 (13) | 0.026 (6)* | |
| H1N4 | 1.078 (2) | −0.340 (2) | 0.1326 (15) | 0.040 (8)* | |
| H2N4 | 0.980 (2) | −0.2534 (19) | 0.1430 (15) | 0.038 (7)* | |
| H1N6 | 1.013 (2) | 0.4218 (19) | 0.3087 (15) | 0.036 (7)* | |
| H2N6 | 1.1052 (18) | 0.4383 (17) | 0.3072 (13) | 0.022 (6)* | |
| H1N8 | 0.471 (2) | 0.733 (2) | 0.3835 (17) | 0.052 (9)* | |
| H2N8 | 0.3716 (19) | 0.8117 (18) | 0.3995 (13) | 0.026 (6)* |
| Sn1 | 0.01106 (5) | 0.00921 (5) | 0.03082 (6) | −0.00378 (4) | −0.00783 (4) | 0.00106 (4) |
| Sn2 | 0.01039 (5) | 0.00965 (5) | 0.02354 (6) | −0.00362 (4) | −0.00501 (4) | 0.00118 (4) |
| Sn3 | 0.01384 (5) | 0.01048 (5) | 0.03358 (7) | −0.00422 (4) | −0.00888 (5) | −0.00213 (4) |
| Sn4 | 0.01225 (5) | 0.01044 (5) | 0.01863 (5) | −0.00414 (4) | −0.00414 (4) | −0.00019 (4) |
| O1 | 0.0132 (5) | 0.0096 (5) | 0.0352 (7) | −0.0031 (4) | −0.0103 (5) | −0.0016 (5) |
| O2 | 0.0122 (5) | 0.0095 (5) | 0.0300 (7) | −0.0029 (4) | −0.0071 (5) | −0.0009 (5) |
| O3 | 0.0150 (6) | 0.0129 (6) | 0.0412 (8) | −0.0047 (5) | −0.0108 (5) | −0.0001 (5) |
| O4 | 0.0239 (7) | 0.0152 (6) | 0.0561 (10) | −0.0105 (5) | −0.0225 (7) | 0.0039 (6) |
| O5 | 0.0163 (7) | 0.0268 (8) | 0.0557 (10) | −0.0004 (6) | −0.0130 (7) | 0.0038 (7) |
| O6 | 0.0260 (7) | 0.0141 (6) | 0.0465 (9) | −0.0047 (5) | −0.0120 (7) | −0.0034 (6) |
| O7 | 0.0150 (6) | 0.0118 (5) | 0.0305 (7) | −0.0029 (5) | −0.0072 (5) | −0.0028 (5) |
| O8 | 0.0184 (6) | 0.0190 (6) | 0.0383 (8) | −0.0052 (5) | −0.0114 (6) | −0.0070 (6) |
| O9 | 0.0282 (7) | 0.0197 (7) | 0.0452 (9) | −0.0120 (6) | −0.0137 (7) | 0.0000 (6) |
| O10 | 0.0183 (7) | 0.0346 (8) | 0.0457 (9) | −0.0115 (6) | −0.0109 (6) | −0.0014 (7) |
| O11 | 0.0170 (6) | 0.0166 (6) | 0.0257 (6) | −0.0091 (5) | −0.0081 (5) | 0.0027 (5) |
| O12 | 0.0148 (5) | 0.0136 (5) | 0.0292 (7) | −0.0051 (5) | −0.0077 (5) | 0.0010 (5) |
| O13 | 0.0268 (7) | 0.0164 (6) | 0.0403 (9) | −0.0028 (6) | −0.0073 (6) | −0.0010 (6) |
| O14 | 0.0189 (7) | 0.0288 (8) | 0.0527 (10) | 0.0016 (6) | −0.0157 (7) | −0.0049 (7) |
| O15 | 0.0135 (5) | 0.0126 (5) | 0.0245 (6) | −0.0029 (4) | −0.0040 (5) | −0.0013 (5) |
| O16 | 0.0149 (6) | 0.0186 (6) | 0.0253 (6) | −0.0057 (5) | −0.0052 (5) | −0.0030 (5) |
| O17 | 0.0296 (8) | 0.0225 (7) | 0.0483 (9) | −0.0140 (6) | −0.0121 (7) | −0.0035 (6) |
| O18 | 0.0198 (7) | 0.0330 (9) | 0.0632 (11) | −0.0131 (6) | −0.0149 (7) | −0.0009 (8) |
| N1 | 0.0182 (7) | 0.0172 (7) | 0.0284 (8) | −0.0021 (6) | −0.0064 (6) | −0.0019 (6) |
| N2 | 0.0176 (7) | 0.0142 (7) | 0.0353 (9) | −0.0083 (6) | −0.0099 (6) | 0.0012 (6) |
| N3 | 0.0179 (7) | 0.0217 (8) | 0.0257 (8) | −0.0104 (6) | −0.0060 (6) | 0.0025 (6) |
| N4 | 0.0228 (8) | 0.0132 (7) | 0.0401 (10) | −0.0026 (6) | −0.0136 (7) | −0.0065 (7) |
| N5 | 0.0187 (7) | 0.0214 (8) | 0.0262 (8) | −0.0006 (6) | −0.0086 (6) | −0.0039 (6) |
| N6 | 0.0181 (7) | 0.0163 (7) | 0.0325 (9) | −0.0092 (6) | −0.0075 (6) | −0.0002 (6) |
| N7 | 0.0213 (8) | 0.0211 (8) | 0.0379 (9) | −0.0120 (7) | −0.0109 (7) | 0.0047 (7) |
| N8 | 0.0176 (7) | 0.0150 (7) | 0.0351 (9) | −0.0025 (6) | −0.0075 (7) | −0.0068 (6) |
| C1 | 0.0143 (7) | 0.0143 (7) | 0.0312 (9) | −0.0056 (6) | −0.0076 (7) | −0.0013 (7) |
| C2 | 0.0132 (7) | 0.0138 (7) | 0.0206 (8) | −0.0055 (6) | −0.0040 (6) | −0.0023 (6) |
| C3 | 0.0155 (7) | 0.0133 (7) | 0.0222 (8) | −0.0054 (6) | −0.0058 (6) | −0.0021 (6) |
| C4 | 0.0151 (7) | 0.0149 (7) | 0.0225 (8) | −0.0026 (6) | −0.0062 (6) | −0.0017 (6) |
| C5 | 0.0142 (7) | 0.0215 (8) | 0.0284 (9) | −0.0075 (7) | −0.0081 (7) | 0.0007 (7) |
| C6 | 0.0164 (8) | 0.0193 (8) | 0.0274 (9) | −0.0099 (7) | −0.0069 (7) | −0.0002 (7) |
| C7 | 0.0144 (7) | 0.0163 (7) | 0.0191 (8) | −0.0067 (6) | −0.0040 (6) | −0.0011 (6) |
| C8 | 0.0143 (7) | 0.0135 (7) | 0.0253 (8) | −0.0031 (6) | −0.0058 (6) | −0.0018 (6) |
| C9 | 0.0146 (7) | 0.0119 (7) | 0.0207 (8) | −0.0020 (6) | −0.0050 (6) | −0.0018 (6) |
| C10 | 0.0155 (7) | 0.0135 (7) | 0.0198 (8) | −0.0056 (6) | −0.0040 (6) | 0.0002 (6) |
| C11 | 0.0153 (7) | 0.0175 (8) | 0.0206 (8) | −0.0067 (6) | −0.0047 (6) | 0.0012 (6) |
| C12 | 0.0150 (8) | 0.0193 (8) | 0.0266 (9) | −0.0031 (7) | −0.0060 (7) | −0.0002 (7) |
| C13 | 0.0189 (8) | 0.0143 (8) | 0.0299 (9) | −0.0008 (7) | −0.0076 (7) | −0.0031 (7) |
| C14 | 0.0195 (8) | 0.0123 (7) | 0.0230 (8) | −0.0037 (6) | −0.0076 (6) | −0.0013 (6) |
| C15 | 0.0123 (7) | 0.0147 (7) | 0.0201 (8) | −0.0051 (6) | −0.0045 (6) | −0.0003 (6) |
| C16 | 0.0129 (7) | 0.0151 (7) | 0.0190 (7) | −0.0057 (6) | −0.0046 (6) | −0.0012 (6) |
| C17 | 0.0153 (7) | 0.0149 (7) | 0.0194 (8) | −0.0054 (6) | −0.0051 (6) | −0.0016 (6) |
| C18 | 0.0152 (7) | 0.0176 (8) | 0.0230 (8) | −0.0027 (6) | −0.0066 (6) | −0.0021 (6) |
| C19 | 0.0143 (7) | 0.0263 (9) | 0.0260 (9) | −0.0068 (7) | −0.0067 (7) | −0.0033 (7) |
| C20 | 0.0157 (8) | 0.0220 (8) | 0.0258 (9) | −0.0092 (7) | −0.0048 (6) | −0.0031 (7) |
| C21 | 0.0144 (7) | 0.0182 (8) | 0.0183 (7) | −0.0074 (6) | −0.0030 (6) | −0.0031 (6) |
| C22 | 0.0132 (7) | 0.0140 (7) | 0.0179 (7) | −0.0038 (6) | −0.0033 (6) | 0.0013 (6) |
| C23 | 0.0135 (7) | 0.0129 (7) | 0.0191 (7) | −0.0044 (6) | −0.0045 (6) | 0.0014 (6) |
| C24 | 0.0177 (8) | 0.0135 (7) | 0.0217 (8) | −0.0065 (6) | −0.0046 (6) | 0.0020 (6) |
| C25 | 0.0171 (8) | 0.0171 (8) | 0.0261 (9) | −0.0086 (6) | −0.0076 (7) | 0.0021 (7) |
| C26 | 0.0142 (8) | 0.0203 (8) | 0.0308 (10) | −0.0054 (7) | −0.0047 (7) | 0.0009 (7) |
| C27 | 0.0161 (8) | 0.0162 (8) | 0.0300 (9) | −0.0032 (6) | −0.0046 (7) | −0.0039 (7) |
| C28 | 0.0148 (7) | 0.0140 (7) | 0.0214 (8) | −0.0038 (6) | −0.0040 (6) | −0.0010 (6) |
| C29 | 0.0180 (8) | 0.0146 (7) | 0.0261 (9) | −0.0065 (6) | −0.0077 (7) | −0.0004 (6) |
| C30 | 0.0196 (8) | 0.0151 (8) | 0.0262 (9) | −0.0070 (7) | −0.0070 (7) | 0.0005 (6) |
| C31 | 0.0262 (9) | 0.0182 (8) | 0.0233 (9) | −0.0082 (7) | −0.0060 (7) | 0.0005 (7) |
| C32 | 0.0332 (11) | 0.0211 (9) | 0.0283 (10) | −0.0042 (8) | −0.0045 (8) | 0.0035 (8) |
| C33 | 0.0161 (17) | 0.014 (2) | 0.021 (3) | −0.0074 (17) | −0.002 (2) | 0.0000 (17) |
| C34 | 0.0210 (16) | 0.0211 (17) | 0.0200 (17) | −0.0113 (14) | −0.0024 (13) | −0.0035 (13) |
| C35 | 0.0237 (18) | 0.024 (2) | 0.0185 (17) | −0.0107 (16) | −0.0014 (13) | −0.0003 (15) |
| C36 | 0.048 (3) | 0.025 (2) | 0.027 (2) | −0.015 (2) | −0.0102 (19) | 0.0028 (17) |
| C33X | 0.0125 (17) | 0.015 (2) | 0.027 (3) | −0.0027 (17) | 0.000 (2) | −0.0018 (19) |
| C34X | 0.0197 (17) | 0.0153 (16) | 0.0261 (19) | −0.0076 (14) | −0.0041 (14) | 0.0003 (13) |
| C35X | 0.029 (2) | 0.023 (2) | 0.024 (2) | −0.0128 (19) | −0.0037 (16) | −0.0020 (17) |
| C36X | 0.042 (3) | 0.029 (2) | 0.023 (2) | −0.018 (2) | −0.0073 (18) | 0.0080 (17) |
| C37 | 0.0159 (7) | 0.0184 (8) | 0.0232 (8) | −0.0077 (6) | −0.0038 (6) | 0.0009 (6) |
| C38 | 0.0261 (9) | 0.0242 (9) | 0.0258 (9) | −0.0123 (8) | −0.0068 (7) | −0.0006 (7) |
| C39 | 0.0259 (9) | 0.0293 (10) | 0.0224 (9) | −0.0108 (8) | −0.0044 (7) | −0.0011 (7) |
| C40 | 0.0320 (11) | 0.0278 (10) | 0.0268 (10) | −0.0112 (9) | −0.0062 (8) | 0.0028 (8) |
| C41 | 0.0183 (8) | 0.0154 (8) | 0.0258 (9) | −0.0079 (6) | −0.0028 (7) | 0.0000 (6) |
| C42 | 0.0213 (9) | 0.0173 (8) | 0.0274 (9) | −0.0047 (7) | −0.0040 (7) | 0.0051 (7) |
| C43 | 0.0295 (10) | 0.0203 (9) | 0.0247 (9) | −0.0088 (8) | −0.0053 (8) | 0.0034 (7) |
| C44 | 0.0478 (14) | 0.0263 (11) | 0.0368 (12) | −0.0204 (10) | −0.0106 (10) | 0.0049 (9) |
| C45 | 0.0204 (8) | 0.0138 (8) | 0.0357 (10) | −0.0073 (7) | −0.0064 (7) | −0.0011 (7) |
| C46 | 0.0223 (9) | 0.0145 (8) | 0.0440 (12) | −0.0087 (7) | −0.0133 (8) | 0.0014 (8) |
| C47 | 0.0264 (10) | 0.0191 (9) | 0.0417 (12) | −0.0128 (8) | −0.0005 (9) | −0.0051 (8) |
| C48 | 0.0464 (14) | 0.0229 (10) | 0.0499 (14) | −0.0176 (10) | −0.0225 (11) | 0.0072 (10) |
| C49 | 0.0230 (11) | 0.0272 (12) | 0.0259 (11) | −0.0132 (10) | −0.0089 (9) | 0.0069 (10) |
| C50 | 0.0261 (12) | 0.0307 (13) | 0.0248 (11) | −0.0045 (10) | −0.0083 (9) | −0.0031 (9) |
| C51 | 0.0390 (14) | 0.0191 (10) | 0.0268 (13) | −0.0118 (10) | −0.0105 (10) | −0.0019 (9) |
| C52 | 0.0288 (13) | 0.0296 (13) | 0.0300 (14) | −0.0127 (10) | −0.0084 (12) | −0.0011 (12) |
| C53 | 0.0228 (9) | 0.0287 (10) | 0.0202 (8) | −0.0104 (8) | −0.0058 (7) | 0.0043 (7) |
| C54 | 0.0264 (10) | 0.0369 (11) | 0.0170 (8) | −0.0103 (9) | −0.0048 (7) | −0.0025 (8) |
| C55 | 0.0274 (10) | 0.0309 (11) | 0.0320 (11) | −0.0074 (9) | −0.0096 (8) | −0.0086 (9) |
| C56 | 0.0389 (13) | 0.0441 (14) | 0.0408 (13) | −0.0135 (11) | −0.0174 (11) | −0.0114 (11) |
| C57 | 0.0194 (8) | 0.0172 (8) | 0.0222 (8) | −0.0086 (7) | −0.0033 (6) | 0.0021 (6) |
| C58 | 0.0232 (8) | 0.0140 (7) | 0.0219 (8) | −0.0090 (7) | −0.0060 (7) | 0.0019 (6) |
| C59 | 0.0355 (11) | 0.0275 (10) | 0.0287 (10) | −0.0159 (9) | −0.0051 (9) | 0.0087 (8) |
| C60 | 0.0564 (15) | 0.0239 (10) | 0.0293 (11) | −0.0204 (10) | −0.0145 (10) | 0.0088 (8) |
| Sn1—O1 | 2.0436 (12) | C33—H33A | 0.9900 |
| Sn1—C33 | 2.050 (7) | C33—H33B | 0.9900 |
| Sn1—C29 | 2.1234 (18) | C34—C35 | 1.541 (5) |
| Sn1—O2 | 2.1445 (12) | C34—H34A | 0.9900 |
| Sn1—C33X | 2.232 (7) | C34—H34B | 0.9900 |
| Sn1—O4 | 2.2643 (14) | C35—C36 | 1.516 (6) |
| Sn1—Sn2 | 3.29699 (17) | C35—H35A | 0.9900 |
| Sn2—O2 | 2.0474 (12) | C35—H35B | 0.9900 |
| Sn2—C41 | 2.1343 (18) | C36—H36A | 0.9800 |
| Sn2—C37 | 2.1351 (17) | C36—H36B | 0.9800 |
| Sn2—O1 | 2.1504 (12) | C36—H36C | 0.9800 |
| Sn2—O11 | 2.2583 (13) | C33X—C34X | 1.525 (8) |
| Sn3—C49X | 1.861 (16) | C33X—H33C | 0.9900 |
| Sn3—O1 | 2.0384 (12) | C33X—H33D | 0.9900 |
| Sn3—C45 | 2.1283 (19) | C34X—C35X | 1.527 (6) |
| Sn3—C49 | 2.176 (3) | C34X—H34C | 0.9900 |
| Sn3—O7 | 2.1992 (12) | C34X—H34D | 0.9900 |
| Sn3—O3 | 2.3178 (13) | C35X—C36X | 1.526 (6) |
| Sn4—O2 | 2.0439 (12) | C35X—H35C | 0.9900 |
| Sn4—C53 | 2.1293 (19) | C35X—H35D | 0.9900 |
| Sn4—C57 | 2.1370 (17) | C36X—H36D | 0.9800 |
| Sn4—O15 | 2.1908 (12) | C36X—H36E | 0.9800 |
| Sn4—O12 | 2.3115 (12) | C36X—H36F | 0.9800 |
| O3—C1 | 1.270 (2) | C37—C38 | 1.524 (3) |
| O4—C1 | 1.263 (2) | C37—H37A | 0.9900 |
| O5—N1 | 1.233 (2) | C37—H37B | 0.9900 |
| O6—N1 | 1.237 (2) | C38—C39 | 1.530 (3) |
| O7—C8 | 1.297 (2) | C38—H38A | 0.9900 |
| O8—C8 | 1.250 (2) | C38—H38B | 0.9900 |
| O9—N3 | 1.243 (2) | C39—C40 | 1.525 (3) |
| O10—N3 | 1.234 (2) | C39—H39A | 0.9900 |
| O11—C15 | 1.265 (2) | C39—H39B | 0.9900 |
| O12—C15 | 1.268 (2) | C40—H40A | 0.9800 |
| O13—N5 | 1.241 (2) | C40—H40B | 0.9800 |
| O14—N5 | 1.232 (2) | C40—H40C | 0.9800 |
| O15—C22 | 1.301 (2) | C41—C42 | 1.539 (3) |
| O16—C22 | 1.243 (2) | C41—H41A | 0.9900 |
| O17—N7 | 1.243 (2) | C41—H41B | 0.9900 |
| O18—N7 | 1.233 (2) | C42—C43 | 1.531 (3) |
| N1—C4 | 1.444 (2) | C42—H42A | 0.9900 |
| N2—C7 | 1.346 (2) | C42—H42B | 0.9900 |
| N2—H1N2 | 0.85 (3) | C43—C44 | 1.519 (3) |
| N2—H2N2 | 0.83 (2) | C43—H43A | 0.9900 |
| N3—C11 | 1.437 (2) | C43—H43B | 0.9900 |
| N4—C14 | 1.341 (2) | C44—H44A | 0.9800 |
| N4—H1N4 | 0.85 (3) | C44—H44B | 0.9800 |
| N4—H2N4 | 0.87 (3) | C44—H44C | 0.9800 |
| N5—C18 | 1.440 (2) | C45—C46 | 1.537 (3) |
| N6—C21 | 1.341 (2) | C45—H45A | 0.9900 |
| N6—H1N6 | 0.82 (3) | C45—H45B | 0.9900 |
| N6—H2N6 | 0.83 (2) | C46—C47 | 1.527 (3) |
| N7—C25 | 1.439 (2) | C46—H46A | 0.9900 |
| N8—C28 | 1.340 (2) | C46—H46B | 0.9900 |
| N8—H1N8 | 0.86 (3) | C47—C48 | 1.517 (3) |
| N8—H2N8 | 0.82 (2) | C47—H47A | 0.9900 |
| C1—C2 | 1.490 (2) | C47—H47B | 0.9900 |
| C2—C3 | 1.389 (2) | C48—H48A | 0.9800 |
| C2—C7 | 1.427 (2) | C48—H48B | 0.9800 |
| C3—C4 | 1.380 (2) | C48—H48C | 0.9800 |
| C3—H3A | 0.9500 | C49—C50 | 1.529 (4) |
| C4—C5 | 1.399 (3) | C49—H49A | 0.9900 |
| C5—C6 | 1.367 (3) | C49—H49C | 0.9900 |
| C5—H5A | 0.9500 | C50—C51 | 1.524 (4) |
| C6—C7 | 1.417 (2) | C50—H50A | 0.9900 |
| C6—H6A | 0.9500 | C50—H50B | 0.9900 |
| C8—C9 | 1.481 (2) | C51—C52 | 1.522 (4) |
| C9—C10 | 1.390 (2) | C51—H51A | 0.9900 |
| C9—C14 | 1.430 (2) | C51—H51B | 0.9900 |
| C10—C11 | 1.385 (2) | C52—H52A | 0.9800 |
| C10—H10A | 0.9500 | C52—H52B | 0.9800 |
| C11—C12 | 1.398 (3) | C52—H52C | 0.9800 |
| C12—C13 | 1.368 (3) | C49X—C50X | 1.55 (2) |
| C12—H12A | 0.9500 | C49X—H49B | 0.9900 |
| C13—C14 | 1.424 (3) | C49X—H49D | 0.9900 |
| C13—H13A | 0.9500 | C50X—C51X | 1.46 (2) |
| C15—C16 | 1.488 (2) | C50X—H50C | 0.9900 |
| C16—C17 | 1.394 (2) | C50X—H50D | 0.9900 |
| C16—C21 | 1.428 (2) | C51X—C52X | 1.52 (3) |
| C17—C18 | 1.377 (2) | C51X—H51C | 0.9900 |
| C17—H17A | 0.9500 | C51X—H51D | 0.9900 |
| C18—C19 | 1.400 (3) | C52X—H52D | 0.9800 |
| C19—C20 | 1.367 (3) | C52X—H52E | 0.9800 |
| C19—H19A | 0.9500 | C52X—H52F | 0.9800 |
| C20—C21 | 1.423 (2) | C53—C54 | 1.533 (3) |
| C20—H20A | 0.9500 | C53—H53A | 0.9900 |
| C22—C23 | 1.487 (2) | C53—H53B | 0.9900 |
| C23—C24 | 1.391 (2) | C54—C55 | 1.522 (3) |
| C23—C28 | 1.427 (2) | C54—H54A | 0.9900 |
| C24—C25 | 1.380 (2) | C54—H54B | 0.9900 |
| C24—H24A | 0.9500 | C55—C56 | 1.525 (3) |
| C25—C26 | 1.400 (3) | C55—H55A | 0.9900 |
| C26—C27 | 1.366 (3) | C55—H55B | 0.9900 |
| C26—H26A | 0.9500 | C56—H56A | 0.9800 |
| C27—C28 | 1.424 (2) | C56—H56B | 0.9800 |
| C27—H27A | 0.9500 | C56—H56C | 0.9800 |
| C29—C30 | 1.527 (2) | C57—C58 | 1.523 (2) |
| C29—H29A | 0.9900 | C57—H57A | 0.9900 |
| C29—H29B | 0.9900 | C57—H57B | 0.9900 |
| C30—C31 | 1.530 (3) | C58—C59 | 1.527 (3) |
| C30—H30A | 0.9900 | C58—H58A | 0.9900 |
| C30—H30B | 0.9900 | C58—H58B | 0.9900 |
| C31—C32 | 1.525 (3) | C59—C60 | 1.528 (3) |
| C31—H31A | 0.9900 | C59—H59A | 0.9900 |
| C31—H31B | 0.9900 | C59—H59B | 0.9900 |
| C32—H32A | 0.9800 | C60—H60A | 0.9800 |
| C32—H32B | 0.9800 | C60—H60B | 0.9800 |
| C32—H32C | 0.9800 | C60—H60C | 0.9800 |
| C33—C34 | 1.526 (6) | ||
| O1—Sn1—C33 | 102.26 (19) | C34—C33—Sn1 | 116.7 (4) |
| O1—Sn1—C29 | 109.79 (6) | C34—C33—H33A | 108.1 |
| C33—Sn1—C29 | 144.4 (2) | Sn1—C33—H33A | 108.1 |
| O1—Sn1—O2 | 76.44 (5) | C34—C33—H33B | 108.1 |
| C33—Sn1—O2 | 104.49 (17) | Sn1—C33—H33B | 108.1 |
| C29—Sn1—O2 | 97.91 (6) | H33A—C33—H33B | 107.3 |
| O1—Sn1—C33X | 106.93 (18) | C33—C34—C35 | 112.0 (4) |
| C33—Sn1—C33X | 11.9 (2) | C33—C34—H34A | 109.2 |
| C29—Sn1—C33X | 143.02 (19) | C35—C34—H34A | 109.2 |
| O2—Sn1—C33X | 94.69 (18) | C33—C34—H34B | 109.2 |
| O1—Sn1—O4 | 89.08 (5) | C35—C34—H34B | 109.2 |
| C33—Sn1—O4 | 82.72 (16) | H34A—C34—H34B | 107.9 |
| C29—Sn1—O4 | 82.63 (6) | C36—C35—C34 | 113.9 (3) |
| O2—Sn1—O4 | 164.84 (5) | C36—C35—H35A | 108.8 |
| C33X—Sn1—O4 | 93.80 (17) | C34—C35—H35A | 108.8 |
| O1—Sn1—Sn2 | 39.34 (3) | C36—C35—H35B | 108.8 |
| C33—Sn1—Sn2 | 107.5 (2) | C34—C35—H35B | 108.8 |
| C29—Sn1—Sn2 | 107.14 (5) | H35A—C35—H35B | 107.7 |
| O2—Sn1—Sn2 | 37.11 (3) | C34X—C33X—Sn1 | 111.2 (4) |
| C33X—Sn1—Sn2 | 103.85 (19) | C34X—C33X—H33C | 109.4 |
| O4—Sn1—Sn2 | 128.23 (4) | Sn1—C33X—H33C | 109.4 |
| O2—Sn2—C41 | 116.69 (6) | C34X—C33X—H33D | 109.4 |
| O2—Sn2—C37 | 102.20 (6) | Sn1—C33X—H33D | 109.4 |
| C41—Sn2—C37 | 139.14 (7) | H33C—C33X—H33D | 108.0 |
| O2—Sn2—O1 | 76.23 (5) | C33X—C34X—C35X | 113.1 (4) |
| C41—Sn2—O1 | 97.59 (6) | C33X—C34X—H34C | 109.0 |
| C37—Sn2—O1 | 103.59 (6) | C35X—C34X—H34C | 109.0 |
| O2—Sn2—O11 | 87.60 (5) | C33X—C34X—H34D | 109.0 |
| C41—Sn2—O11 | 83.03 (6) | C35X—C34X—H34D | 109.0 |
| C37—Sn2—O11 | 86.75 (6) | H34C—C34X—H34D | 107.8 |
| O1—Sn2—O11 | 162.25 (5) | C36X—C35X—C34X | 112.2 (4) |
| O2—Sn2—Sn1 | 39.19 (3) | C36X—C35X—H35C | 109.2 |
| C41—Sn2—Sn1 | 111.68 (5) | C34X—C35X—H35C | 109.2 |
| C37—Sn2—Sn1 | 106.18 (5) | C36X—C35X—H35D | 109.2 |
| O1—Sn2—Sn1 | 37.04 (3) | C34X—C35X—H35D | 109.2 |
| O11—Sn2—Sn1 | 126.47 (3) | H35C—C35X—H35D | 107.9 |
| C49X—Sn3—O1 | 117.0 (5) | C35X—C36X—H36D | 109.5 |
| C49X—Sn3—C45 | 128.7 (6) | C35X—C36X—H36E | 109.5 |
| O1—Sn3—C45 | 112.74 (7) | H36D—C36X—H36E | 109.5 |
| C49X—Sn3—C49 | 14.3 (5) | C35X—C36X—H36F | 109.5 |
| O1—Sn3—C49 | 103.90 (8) | H36D—C36X—H36F | 109.5 |
| C45—Sn3—C49 | 142.79 (9) | H36E—C36X—H36F | 109.5 |
| C49X—Sn3—O7 | 105.0 (5) | C38—C37—Sn2 | 118.39 (13) |
| O1—Sn3—O7 | 79.83 (5) | C38—C37—H37A | 107.7 |
| C45—Sn3—O7 | 94.91 (6) | Sn2—C37—H37A | 107.7 |
| C49—Sn3—O7 | 97.73 (7) | C38—C37—H37B | 107.7 |
| C49X—Sn3—O3 | 85.3 (5) | Sn2—C37—H37B | 107.7 |
| O1—Sn3—O3 | 90.46 (5) | H37A—C37—H37B | 107.1 |
| C45—Sn3—O3 | 82.56 (6) | C37—C38—C39 | 112.21 (16) |
| C49—Sn3—O3 | 91.11 (7) | C37—C38—H38A | 109.2 |
| O7—Sn3—O3 | 168.18 (5) | C39—C38—H38A | 109.2 |
| O2—Sn4—C53 | 105.16 (7) | C37—C38—H38B | 109.2 |
| O2—Sn4—C57 | 112.18 (6) | C39—C38—H38B | 109.2 |
| C53—Sn4—C57 | 140.54 (8) | H38A—C38—H38B | 107.9 |
| O2—Sn4—O15 | 80.07 (5) | C40—C39—C38 | 113.81 (17) |
| C53—Sn4—O15 | 99.69 (6) | C40—C39—H39A | 108.8 |
| C57—Sn4—O15 | 98.85 (6) | C38—C39—H39A | 108.8 |
| O2—Sn4—O12 | 89.13 (5) | C40—C39—H39B | 108.8 |
| C53—Sn4—O12 | 89.47 (6) | C38—C39—H39B | 108.8 |
| C57—Sn4—O12 | 79.01 (6) | H39A—C39—H39B | 107.7 |
| O15—Sn4—O12 | 167.33 (5) | C39—C40—H40A | 109.5 |
| Sn3—O1—Sn1 | 133.09 (6) | C39—C40—H40B | 109.5 |
| Sn3—O1—Sn2 | 123.16 (6) | H40A—C40—H40B | 109.5 |
| Sn1—O1—Sn2 | 103.62 (5) | C39—C40—H40C | 109.5 |
| Sn4—O2—Sn2 | 133.50 (6) | H40A—C40—H40C | 109.5 |
| Sn4—O2—Sn1 | 121.48 (6) | H40B—C40—H40C | 109.5 |
| Sn2—O2—Sn1 | 103.70 (5) | C42—C41—Sn2 | 112.73 (12) |
| C1—O3—Sn3 | 127.34 (12) | C42—C41—H41A | 109.0 |
| C1—O4—Sn1 | 130.17 (13) | Sn2—C41—H41A | 109.0 |
| C8—O7—Sn3 | 105.06 (11) | C42—C41—H41B | 109.0 |
| C15—O11—Sn2 | 124.96 (11) | Sn2—C41—H41B | 109.0 |
| C15—O12—Sn4 | 128.32 (11) | H41A—C41—H41B | 107.8 |
| C22—O15—Sn4 | 105.22 (11) | C43—C42—C41 | 113.99 (16) |
| O5—N1—O6 | 122.51 (16) | C43—C42—H42A | 108.8 |
| O5—N1—C4 | 118.98 (17) | C41—C42—H42A | 108.8 |
| O6—N1—C4 | 118.51 (15) | C43—C42—H42B | 108.8 |
| C7—N2—H1N2 | 117.9 (18) | C41—C42—H42B | 108.8 |
| C7—N2—H2N2 | 116.8 (17) | H42A—C42—H42B | 107.6 |
| H1N2—N2—H2N2 | 123 (2) | C44—C43—C42 | 113.81 (18) |
| O10—N3—O9 | 122.07 (17) | C44—C43—H43A | 108.8 |
| O10—N3—C11 | 119.24 (16) | C42—C43—H43A | 108.8 |
| O9—N3—C11 | 118.69 (15) | C44—C43—H43B | 108.8 |
| C14—N4—H1N4 | 121.5 (19) | C42—C43—H43B | 108.8 |
| C14—N4—H2N4 | 119.3 (18) | H43A—C43—H43B | 107.7 |
| H1N4—N4—H2N4 | 119 (3) | C43—C44—H44A | 109.5 |
| O14—N5—O13 | 122.57 (17) | C43—C44—H44B | 109.5 |
| O14—N5—C18 | 118.92 (18) | H44A—C44—H44B | 109.5 |
| O13—N5—C18 | 118.51 (16) | C43—C44—H44C | 109.5 |
| C21—N6—H1N6 | 119.1 (19) | H44A—C44—H44C | 109.5 |
| C21—N6—H2N6 | 119.1 (16) | H44B—C44—H44C | 109.5 |
| H1N6—N6—H2N6 | 122 (2) | C46—C45—Sn3 | 112.88 (14) |
| O18—N7—O17 | 121.85 (18) | C46—C45—H45A | 109.0 |
| O18—N7—C25 | 119.37 (17) | Sn3—C45—H45A | 109.0 |
| O17—N7—C25 | 118.78 (16) | C46—C45—H45B | 109.0 |
| C28—N8—H1N8 | 119 (2) | Sn3—C45—H45B | 109.0 |
| C28—N8—H2N8 | 119.4 (17) | H45A—C45—H45B | 107.8 |
| H1N8—N8—H2N8 | 118 (3) | C47—C46—C45 | 113.72 (18) |
| O4—C1—O3 | 123.22 (16) | C47—C46—H46A | 108.8 |
| O4—C1—C2 | 117.46 (15) | C45—C46—H46A | 108.8 |
| O3—C1—C2 | 119.32 (16) | C47—C46—H46B | 108.8 |
| C3—C2—C7 | 119.34 (15) | C45—C46—H46B | 108.8 |
| C3—C2—C1 | 117.60 (15) | H46A—C46—H46B | 107.7 |
| C7—C2—C1 | 123.00 (15) | C48—C47—C46 | 113.82 (18) |
| C4—C3—C2 | 120.50 (16) | C48—C47—H47A | 108.8 |
| C4—C3—H3A | 119.8 | C46—C47—H47A | 108.8 |
| C2—C3—H3A | 119.8 | C48—C47—H47B | 108.8 |
| C3—C4—C5 | 121.30 (16) | C46—C47—H47B | 108.8 |
| C3—C4—N1 | 119.43 (16) | H47A—C47—H47B | 107.7 |
| C5—C4—N1 | 119.22 (16) | C47—C48—H48A | 109.5 |
| C6—C5—C4 | 118.96 (16) | C47—C48—H48B | 109.5 |
| C6—C5—H5A | 120.5 | H48A—C48—H48B | 109.5 |
| C4—C5—H5A | 120.5 | C47—C48—H48C | 109.5 |
| C5—C6—C7 | 121.66 (17) | H48A—C48—H48C | 109.5 |
| C5—C6—H6A | 119.2 | H48B—C48—H48C | 109.5 |
| C7—C6—H6A | 119.2 | C50—C49—Sn3 | 116.96 (18) |
| N2—C7—C6 | 119.03 (16) | C50—C49—H49A | 108.1 |
| N2—C7—C2 | 122.75 (16) | Sn3—C49—H49A | 108.1 |
| C6—C7—C2 | 118.22 (15) | C50—C49—H49C | 108.1 |
| O8—C8—O7 | 120.61 (16) | Sn3—C49—H49C | 108.1 |
| O8—C8—C9 | 121.48 (16) | H49A—C49—H49C | 107.3 |
| O7—C8—C9 | 117.90 (16) | C51—C50—C49 | 115.3 (2) |
| C10—C9—C14 | 119.38 (16) | C51—C50—H50A | 108.4 |
| C10—C9—C8 | 119.00 (15) | C49—C50—H50A | 108.4 |
| C14—C9—C8 | 121.61 (16) | C51—C50—H50B | 108.4 |
| C11—C10—C9 | 120.51 (16) | C49—C50—H50B | 108.4 |
| C11—C10—H10A | 119.7 | H50A—C50—H50B | 107.5 |
| C9—C10—H10A | 119.7 | C52—C51—C50 | 114.2 (2) |
| C10—C11—C12 | 121.17 (17) | C52—C51—H51A | 108.7 |
| C10—C11—N3 | 119.22 (16) | C50—C51—H51A | 108.7 |
| C12—C11—N3 | 119.61 (16) | C52—C51—H51B | 108.7 |
| C13—C12—C11 | 119.26 (17) | C50—C51—H51B | 108.7 |
| C13—C12—H12A | 120.4 | H51A—C51—H51B | 107.6 |
| C11—C12—H12A | 120.4 | C50X—C49X—Sn3 | 115.6 (12) |
| C12—C13—C14 | 121.54 (17) | C50X—C49X—H49B | 108.4 |
| C12—C13—H13A | 119.2 | Sn3—C49X—H49B | 108.4 |
| C14—C13—H13A | 119.2 | C50X—C49X—H49D | 108.4 |
| N4—C14—C13 | 119.67 (16) | Sn3—C49X—H49D | 108.4 |
| N4—C14—C9 | 122.22 (17) | H49B—C49X—H49D | 107.4 |
| C13—C14—C9 | 118.10 (17) | C51X—C50X—C49X | 118.2 (14) |
| O11—C15—O12 | 123.40 (15) | C51X—C50X—H50C | 107.8 |
| O11—C15—C16 | 117.83 (15) | C49X—C50X—H50C | 107.8 |
| O12—C15—C16 | 118.76 (15) | C51X—C50X—H50D | 107.8 |
| C17—C16—C21 | 119.43 (15) | C49X—C50X—H50D | 107.8 |
| C17—C16—C15 | 117.28 (15) | H50C—C50X—H50D | 107.1 |
| C21—C16—C15 | 123.23 (15) | C50X—C51X—C52X | 113.3 (15) |
| C18—C17—C16 | 120.49 (16) | C50X—C51X—H51C | 108.9 |
| C18—C17—H17A | 119.8 | C52X—C51X—H51C | 108.9 |
| C16—C17—H17A | 119.8 | C50X—C51X—H51D | 108.9 |
| C17—C18—C19 | 121.23 (17) | C52X—C51X—H51D | 108.9 |
| C17—C18—N5 | 119.42 (17) | H51C—C51X—H51D | 107.7 |
| C19—C18—N5 | 119.35 (16) | C51X—C52X—H52D | 109.5 |
| C20—C19—C18 | 119.31 (17) | C51X—C52X—H52E | 109.5 |
| C20—C19—H19A | 120.3 | H52D—C52X—H52E | 109.5 |
| C18—C19—H19A | 120.3 | C51X—C52X—H52F | 109.5 |
| C19—C20—C21 | 121.41 (17) | H52D—C52X—H52F | 109.5 |
| C19—C20—H20A | 119.3 | H52E—C52X—H52F | 109.5 |
| C21—C20—H20A | 119.3 | C54—C53—Sn4 | 115.86 (13) |
| N6—C21—C20 | 118.95 (16) | C54—C53—H53A | 108.3 |
| N6—C21—C16 | 122.97 (16) | Sn4—C53—H53A | 108.3 |
| C20—C21—C16 | 118.07 (16) | C54—C53—H53B | 108.3 |
| O16—C22—O15 | 120.67 (15) | Sn4—C53—H53B | 108.3 |
| O16—C22—C23 | 121.77 (16) | H53A—C53—H53B | 107.4 |
| O15—C22—C23 | 117.55 (15) | C55—C54—C53 | 114.43 (17) |
| C24—C23—C28 | 119.26 (16) | C55—C54—H54A | 108.7 |
| C24—C23—C22 | 119.27 (15) | C53—C54—H54A | 108.7 |
| C28—C23—C22 | 121.45 (16) | C55—C54—H54B | 108.7 |
| C25—C24—C23 | 120.59 (16) | C53—C54—H54B | 108.7 |
| C25—C24—H24A | 119.7 | H54A—C54—H54B | 107.6 |
| C23—C24—H24A | 119.7 | C54—C55—C56 | 113.45 (19) |
| C24—C25—C26 | 121.30 (17) | C54—C55—H55A | 108.9 |
| C24—C25—N7 | 119.29 (17) | C56—C55—H55A | 108.9 |
| C26—C25—N7 | 119.41 (16) | C54—C55—H55B | 108.9 |
| C27—C26—C25 | 119.04 (17) | C56—C55—H55B | 108.9 |
| C27—C26—H26A | 120.5 | H55A—C55—H55B | 107.7 |
| C25—C26—H26A | 120.5 | C55—C56—H56A | 109.5 |
| C26—C27—C28 | 121.58 (17) | C55—C56—H56B | 109.5 |
| C26—C27—H27A | 119.2 | H56A—C56—H56B | 109.5 |
| C28—C27—H27A | 119.2 | C55—C56—H56C | 109.5 |
| N8—C28—C27 | 119.23 (16) | H56A—C56—H56C | 109.5 |
| N8—C28—C23 | 122.54 (16) | H56B—C56—H56C | 109.5 |
| C27—C28—C23 | 118.22 (16) | C58—C57—Sn4 | 119.96 (12) |
| C30—C29—Sn1 | 115.88 (12) | C58—C57—H57A | 107.3 |
| C30—C29—H29A | 108.3 | Sn4—C57—H57A | 107.3 |
| Sn1—C29—H29A | 108.3 | C58—C57—H57B | 107.3 |
| C30—C29—H29B | 108.3 | Sn4—C57—H57B | 107.3 |
| Sn1—C29—H29B | 108.3 | H57A—C57—H57B | 106.9 |
| H29A—C29—H29B | 107.4 | C57—C58—C59 | 112.36 (16) |
| C29—C30—C31 | 112.29 (15) | C57—C58—H58A | 109.1 |
| C29—C30—H30A | 109.1 | C59—C58—H58A | 109.1 |
| C31—C30—H30A | 109.1 | C57—C58—H58B | 109.1 |
| C29—C30—H30B | 109.1 | C59—C58—H58B | 109.1 |
| C31—C30—H30B | 109.1 | H58A—C58—H58B | 107.9 |
| H30A—C30—H30B | 107.9 | C58—C59—C60 | 113.17 (19) |
| C32—C31—C30 | 112.46 (16) | C58—C59—H59A | 108.9 |
| C32—C31—H31A | 109.1 | C60—C59—H59A | 108.9 |
| C30—C31—H31A | 109.1 | C58—C59—H59B | 108.9 |
| C32—C31—H31B | 109.1 | C60—C59—H59B | 108.9 |
| C30—C31—H31B | 109.1 | H59A—C59—H59B | 107.8 |
| H31A—C31—H31B | 107.8 | C59—C60—H60A | 109.5 |
| C31—C32—H32A | 109.5 | C59—C60—H60B | 109.5 |
| C31—C32—H32B | 109.5 | H60A—C60—H60B | 109.5 |
| H32A—C32—H32B | 109.5 | C59—C60—H60C | 109.5 |
| C31—C32—H32C | 109.5 | H60A—C60—H60C | 109.5 |
| H32A—C32—H32C | 109.5 | H60B—C60—H60C | 109.5 |
| H32B—C32—H32C | 109.5 | ||
| O1—Sn1—Sn2—O2 | −179.19 (8) | Sn3—O7—C8—C9 | −178.59 (13) |
| C33—Sn1—Sn2—O2 | −91.07 (16) | O8—C8—C9—C10 | 171.89 (17) |
| C29—Sn1—Sn2—O2 | 80.28 (8) | O7—C8—C9—C10 | −8.3 (3) |
| C33X—Sn1—Sn2—O2 | −79.27 (17) | O8—C8—C9—C14 | −7.8 (3) |
| O4—Sn1—Sn2—O2 | 174.41 (8) | O7—C8—C9—C14 | 172.08 (16) |
| O1—Sn1—Sn2—C41 | −73.09 (8) | C14—C9—C10—C11 | −0.1 (3) |
| C33—Sn1—Sn2—C41 | 15.03 (16) | C8—C9—C10—C11 | −179.78 (16) |
| C29—Sn1—Sn2—C41 | −173.62 (8) | C9—C10—C11—C12 | 1.3 (3) |
| O2—Sn1—Sn2—C41 | 106.10 (8) | C9—C10—C11—N3 | −179.12 (16) |
| C33X—Sn1—Sn2—C41 | 26.83 (17) | O10—N3—C11—C10 | 178.31 (17) |
| O4—Sn1—Sn2—C41 | −79.49 (8) | O9—N3—C11—C10 | −2.3 (3) |
| O1—Sn1—Sn2—C37 | 91.25 (8) | O10—N3—C11—C12 | −2.1 (3) |
| C33—Sn1—Sn2—C37 | 179.37 (16) | O9—N3—C11—C12 | 177.28 (17) |
| C29—Sn1—Sn2—C37 | −9.28 (7) | C10—C11—C12—C13 | −0.9 (3) |
| O2—Sn1—Sn2—C37 | −89.56 (8) | N3—C11—C12—C13 | 179.52 (17) |
| C33X—Sn1—Sn2—C37 | −168.83 (17) | C11—C12—C13—C14 | −0.7 (3) |
| O4—Sn1—Sn2—C37 | 84.85 (7) | C12—C13—C14—N4 | −177.46 (19) |
| C33—Sn1—Sn2—O1 | 88.12 (16) | C12—C13—C14—C9 | 1.8 (3) |
| C29—Sn1—Sn2—O1 | −100.53 (8) | C10—C9—C14—N4 | 177.86 (18) |
| O2—Sn1—Sn2—O1 | 179.19 (8) | C8—C9—C14—N4 | −2.5 (3) |
| C33X—Sn1—Sn2—O1 | 99.92 (17) | C10—C9—C14—C13 | −1.4 (3) |
| O4—Sn1—Sn2—O1 | −6.40 (8) | C8—C9—C14—C13 | 178.28 (17) |
| O1—Sn1—Sn2—O11 | −170.64 (7) | Sn2—O11—C15—O12 | 46.4 (2) |
| C33—Sn1—Sn2—O11 | −82.52 (16) | Sn2—O11—C15—C16 | −132.19 (13) |
| C29—Sn1—Sn2—O11 | 88.83 (7) | Sn4—O12—C15—O11 | 18.1 (3) |
| O2—Sn1—Sn2—O11 | 8.55 (7) | Sn4—O12—C15—C16 | −163.34 (11) |
| C33X—Sn1—Sn2—O11 | −70.72 (16) | O11—C15—C16—C17 | 8.0 (2) |
| O4—Sn1—Sn2—O11 | −177.04 (6) | O12—C15—C16—C17 | −170.66 (16) |
| C49X—Sn3—O1—Sn1 | 67.5 (6) | O11—C15—C16—C21 | −174.90 (16) |
| C45—Sn3—O1—Sn1 | −99.67 (10) | O12—C15—C16—C21 | 6.5 (3) |
| C49—Sn3—O1—Sn1 | 73.72 (11) | C21—C16—C17—C18 | −0.1 (3) |
| O7—Sn3—O1—Sn1 | 169.24 (10) | C15—C16—C17—C18 | 177.10 (16) |
| O3—Sn3—O1—Sn1 | −17.54 (10) | C16—C17—C18—C19 | 0.8 (3) |
| C49X—Sn3—O1—Sn2 | −117.4 (6) | C16—C17—C18—N5 | −179.03 (16) |
| C45—Sn3—O1—Sn2 | 75.44 (9) | O14—N5—C18—C17 | 170.25 (18) |
| C49—Sn3—O1—Sn2 | −111.18 (9) | O13—N5—C18—C17 | −9.9 (3) |
| O7—Sn3—O1—Sn2 | −15.65 (7) | O14—N5—C18—C19 | −9.6 (3) |
| O3—Sn3—O1—Sn2 | 157.57 (8) | O13—N5—C18—C19 | 170.24 (18) |
| C33—Sn1—O1—Sn3 | 73.10 (19) | C17—C18—C19—C20 | 0.3 (3) |
| C29—Sn1—O1—Sn3 | −91.06 (10) | N5—C18—C19—C20 | −179.79 (17) |
| O2—Sn1—O1—Sn3 | 175.28 (11) | C18—C19—C20—C21 | −2.2 (3) |
| C33X—Sn1—O1—Sn3 | 84.4 (2) | C19—C20—C21—N6 | −176.64 (18) |
| O4—Sn1—O1—Sn3 | −9.24 (10) | C19—C20—C21—C16 | 2.9 (3) |
| Sn2—Sn1—O1—Sn3 | 175.78 (13) | C17—C16—C21—N6 | 177.84 (17) |
| C33—Sn1—O1—Sn2 | −102.68 (17) | C15—C16—C21—N6 | 0.8 (3) |
| C29—Sn1—O1—Sn2 | 93.15 (7) | C17—C16—C21—C20 | −1.6 (2) |
| O2—Sn1—O1—Sn2 | −0.50 (5) | C15—C16—C21—C20 | −178.71 (16) |
| C33X—Sn1—O1—Sn2 | −91.34 (18) | Sn4—O15—C22—O16 | 5.59 (19) |
| O4—Sn1—O1—Sn2 | 174.98 (6) | Sn4—O15—C22—C23 | −173.41 (12) |
| O2—Sn2—O1—Sn3 | −175.80 (9) | O16—C22—C23—C24 | −177.31 (16) |
| C41—Sn2—O1—Sn3 | −60.08 (9) | O15—C22—C23—C24 | 1.7 (2) |
| C37—Sn2—O1—Sn3 | 84.73 (9) | O16—C22—C23—C28 | 1.0 (3) |
| O11—Sn2—O1—Sn3 | −150.90 (12) | O15—C22—C23—C28 | 179.99 (15) |
| Sn1—Sn2—O1—Sn3 | −176.32 (12) | C28—C23—C24—C25 | −1.4 (3) |
| O2—Sn2—O1—Sn1 | 0.53 (5) | C22—C23—C24—C25 | 176.97 (16) |
| C41—Sn2—O1—Sn1 | 116.24 (7) | C23—C24—C25—C26 | 0.3 (3) |
| C37—Sn2—O1—Sn1 | −98.95 (7) | C23—C24—C25—N7 | −179.13 (16) |
| O11—Sn2—O1—Sn1 | 25.42 (19) | O18—N7—C25—C24 | 178.88 (18) |
| C53—Sn4—O2—Sn2 | −80.21 (10) | O17—N7—C25—C24 | −1.0 (3) |
| C57—Sn4—O2—Sn2 | 86.76 (10) | O18—N7—C25—C26 | −0.6 (3) |
| O15—Sn4—O2—Sn2 | −177.66 (10) | O17—N7—C25—C26 | 179.57 (18) |
| O12—Sn4—O2—Sn2 | 9.00 (9) | C24—C25—C26—C27 | 0.8 (3) |
| C53—Sn4—O2—Sn1 | 115.23 (8) | N7—C25—C26—C27 | −179.73 (18) |
| C57—Sn4—O2—Sn1 | −77.80 (8) | C25—C26—C27—C28 | −0.9 (3) |
| O15—Sn4—O2—Sn1 | 17.79 (7) | C26—C27—C28—N8 | −178.89 (19) |
| O12—Sn4—O2—Sn1 | −155.55 (7) | C26—C27—C28—C23 | −0.2 (3) |
| C41—Sn2—O2—Sn4 | 101.35 (10) | C24—C23—C28—N8 | 179.97 (17) |
| C37—Sn2—O2—Sn4 | −65.76 (10) | C22—C23—C28—N8 | 1.7 (3) |
| O1—Sn2—O2—Sn4 | −166.98 (10) | C24—C23—C28—C27 | 1.3 (3) |
| O11—Sn2—O2—Sn4 | 20.39 (9) | C22—C23—C28—C27 | −176.99 (16) |
| Sn1—Sn2—O2—Sn4 | −166.48 (13) | O1—Sn1—C29—C30 | 155.96 (12) |
| C41—Sn2—O2—Sn1 | −92.16 (8) | C33—Sn1—C29—C30 | 3.2 (3) |
| C37—Sn2—O2—Sn1 | 100.72 (7) | O2—Sn1—C29—C30 | −125.67 (13) |
| O1—Sn2—O2—Sn1 | −0.50 (5) | C33X—Sn1—C29—C30 | −16.9 (3) |
| O11—Sn2—O2—Sn1 | −173.13 (6) | O4—Sn1—C29—C30 | 69.62 (13) |
| O1—Sn1—O2—Sn4 | 169.06 (8) | Sn2—Sn1—C29—C30 | −162.57 (12) |
| C33—Sn1—O2—Sn4 | −91.54 (19) | Sn1—C29—C30—C31 | −174.93 (13) |
| C29—Sn1—O2—Sn4 | 60.51 (8) | C29—C30—C31—C32 | −172.63 (17) |
| C33X—Sn1—O2—Sn4 | −84.64 (18) | O1—Sn1—C33—C34 | 88.2 (4) |
| O4—Sn1—O2—Sn4 | 151.52 (17) | C29—Sn1—C33—C34 | −117.9 (4) |
| Sn2—Sn1—O2—Sn4 | 168.53 (11) | O2—Sn1—C33—C34 | 9.3 (4) |
| O1—Sn1—O2—Sn2 | 0.53 (5) | C33X—Sn1—C33—C34 | −26.2 (14) |
| C33—Sn1—O2—Sn2 | 99.93 (19) | O4—Sn1—C33—C34 | 175.7 (4) |
| C29—Sn1—O2—Sn2 | −108.02 (7) | Sn2—Sn1—C33—C34 | 47.8 (4) |
| C33X—Sn1—O2—Sn2 | 106.83 (18) | Sn1—C33—C34—C35 | −159.7 (3) |
| O4—Sn1—O2—Sn2 | −17.0 (2) | C33—C34—C35—C36 | 74.7 (5) |
| C49X—Sn3—O3—C1 | −71.8 (6) | O1—Sn1—C33X—C34X | −4.3 (4) |
| O1—Sn3—O3—C1 | 45.20 (16) | C33—Sn1—C33X—C34X | 64.2 (16) |
| C45—Sn3—O3—C1 | 158.08 (17) | C29—Sn1—C33X—C34X | 168.7 (2) |
| C49—Sn3—O3—C1 | −58.71 (17) | O2—Sn1—C33X—C34X | −81.5 (4) |
| O7—Sn3—O3—C1 | 79.8 (3) | O4—Sn1—C33X—C34X | 85.9 (4) |
| O1—Sn1—O4—C1 | 51.15 (17) | Sn2—Sn1—C33X—C34X | −45.0 (4) |
| C33—Sn1—O4—C1 | −51.3 (3) | Sn1—C33X—C34X—C35X | 178.7 (3) |
| C29—Sn1—O4—C1 | 161.25 (18) | C33X—C34X—C35X—C36X | 173.9 (4) |
| O2—Sn1—O4—C1 | 68.2 (3) | O2—Sn2—C37—C38 | −91.62 (14) |
| C33X—Sn1—O4—C1 | −55.8 (2) | C41—Sn2—C37—C38 | 106.11 (16) |
| Sn2—Sn1—O4—C1 | 55.21 (18) | O1—Sn2—C37—C38 | −13.05 (15) |
| C49X—Sn3—O7—C8 | −63.8 (6) | O11—Sn2—C37—C38 | −178.45 (14) |
| O1—Sn3—O7—C8 | −179.24 (12) | Sn1—Sn2—C37—C38 | −51.34 (15) |
| C45—Sn3—O7—C8 | 68.50 (12) | Sn2—C37—C38—C39 | 161.63 (13) |
| C49—Sn3—O7—C8 | −76.41 (13) | C37—C38—C39—C40 | −74.9 (2) |
| O3—Sn3—O7—C8 | 145.6 (2) | O2—Sn2—C41—C42 | −149.51 (13) |
| O2—Sn2—O11—C15 | −60.74 (14) | C37—Sn2—C41—C42 | 11.0 (2) |
| C41—Sn2—O11—C15 | −178.00 (14) | O1—Sn2—C41—C42 | 132.12 (14) |
| C37—Sn2—O11—C15 | 41.63 (14) | O11—Sn2—C41—C42 | −65.76 (14) |
| O1—Sn2—O11—C15 | −84.9 (2) | Sn1—Sn2—C41—C42 | 167.68 (12) |
| Sn1—Sn2—O11—C15 | −66.14 (14) | Sn2—C41—C42—C43 | 176.64 (14) |
| O2—Sn4—O12—C15 | −42.71 (15) | C41—C42—C43—C44 | 67.4 (2) |
| C53—Sn4—O12—C15 | 62.47 (16) | C49X—Sn3—C45—C46 | −4.4 (6) |
| C57—Sn4—O12—C15 | −155.51 (16) | O1—Sn3—C45—C46 | 160.89 (12) |
| O15—Sn4—O12—C15 | −74.1 (3) | C49—Sn3—C45—C46 | −8.4 (2) |
| O2—Sn4—O15—C22 | 168.90 (11) | O7—Sn3—C45—C46 | −118.09 (13) |
| C53—Sn4—O15—C22 | 65.04 (12) | O3—Sn3—C45—C46 | 73.53 (13) |
| C57—Sn4—O15—C22 | −79.97 (11) | Sn3—C45—C46—C47 | 174.73 (13) |
| O12—Sn4—O15—C22 | −159.18 (18) | C45—C46—C47—C48 | −69.0 (2) |
| Sn1—O4—C1—O3 | −38.2 (3) | C49X—Sn3—C49—C50 | −22 (2) |
| Sn1—O4—C1—C2 | 141.23 (14) | O1—Sn3—C49—C50 | −179.25 (16) |
| Sn3—O3—C1—O4 | −22.1 (3) | C45—Sn3—C49—C50 | −9.4 (3) |
| Sn3—O3—C1—C2 | 158.50 (12) | O7—Sn3—C49—C50 | 99.38 (17) |
| O4—C1—C2—C3 | −4.8 (3) | O3—Sn3—C49—C50 | −88.50 (17) |
| O3—C1—C2—C3 | 174.61 (17) | Sn3—C49—C50—C51 | 67.5 (2) |
| O4—C1—C2—C7 | 177.97 (17) | C49—C50—C51—C52 | 64.9 (3) |
| O3—C1—C2—C7 | −2.6 (3) | O1—Sn3—C49X—C50X | −161.1 (9) |
| C7—C2—C3—C4 | 0.4 (3) | C45—Sn3—C49X—C50X | 3.6 (14) |
| C1—C2—C3—C4 | −176.93 (17) | C49—Sn3—C49X—C50X | 174 (3) |
| C2—C3—C4—C5 | −0.3 (3) | O7—Sn3—C49X—C50X | 112.8 (11) |
| C2—C3—C4—N1 | 176.96 (16) | O3—Sn3—C49X—C50X | −73.0 (11) |
| O5—N1—C4—C3 | −169.13 (18) | Sn3—C49X—C50X—C51X | 166.1 (12) |
| O6—N1—C4—C3 | 10.1 (3) | C49X—C50X—C51X—C52X | −70 (2) |
| O5—N1—C4—C5 | 8.2 (3) | O2—Sn4—C53—C54 | 171.92 (13) |
| O6—N1—C4—C5 | −172.65 (18) | C57—Sn4—C53—C54 | 11.1 (2) |
| C3—C4—C5—C6 | −0.9 (3) | O15—Sn4—C53—C54 | −105.84 (14) |
| N1—C4—C5—C6 | −178.09 (17) | O12—Sn4—C53—C54 | 82.96 (14) |
| C4—C5—C6—C7 | 1.9 (3) | Sn4—C53—C54—C55 | −60.8 (2) |
| C5—C6—C7—N2 | 177.84 (18) | C53—C54—C55—C56 | −174.58 (18) |
| C5—C6—C7—C2 | −1.8 (3) | O2—Sn4—C57—C58 | 99.39 (14) |
| C3—C2—C7—N2 | −178.98 (17) | C53—Sn4—C57—C58 | −100.64 (17) |
| C1—C2—C7—N2 | −1.8 (3) | O15—Sn4—C57—C58 | 16.56 (15) |
| C3—C2—C7—C6 | 0.6 (3) | O12—Sn4—C57—C58 | −176.11 (15) |
| C1—C2—C7—C6 | 177.74 (17) | Sn4—C57—C58—C59 | −178.80 (14) |
| Sn3—O7—C8—O8 | 1.2 (2) | C57—C58—C59—C60 | −178.49 (18) |
| H··· | ||||
| N2—H1N2···O9i | 0.86 (3) | 2.32 (3) | 3.122 (3) | 157 (3) |
| N2—H2N2···O3 | 0.84 (3) | 2.02 (3) | 2.684 (3) | 135 (2) |
| N4—H1N4···O6ii | 0.84 (3) | 2.20 (3) | 3.002 (2) | 160 (3) |
| N4—H2N4···O8 | 0.87 (3) | 2.02 (3) | 2.675 (2) | 131 (3) |
| N6—H1N6···O12 | 0.82 (3) | 2.07 (3) | 2.688 (3) | 132 (2) |
| N6—H2N6···O17iii | 0.83 (3) | 2.36 (3) | 3.152 (3) | 158 (2) |
| N6—H2N6···O18iii | 0.83 (3) | 2.49 (2) | 3.229 (3) | 149 (2) |
| N8—H1N8···O16 | 0.86 (3) | 2.03 (3) | 2.674 (2) | 131 (3) |
| N8—H2N8···O13iv | 0.82 (3) | 2.22 (3) | 2.998 (2) | 160 (3) |
| C6—H6A···O9i | 0.95 | 2.48 | 3.261 (2) | 139 |
| C13—H13A···O6ii | 0.95 | 2.57 | 3.350 (2) | 140 |
| C20—H20A···O17iii | 0.95 | 2.54 | 3.338 (3) | 142 |
| C43—H43B···O13v | 0.99 | 2.58 | 3.544 (3) | 164 |
| C50—H50B···O8 | 0.99 | 2.56 | 3.304 (3) | 131 |
| C54—H54A···O16 | 0.99 | 2.51 | 3.210 (3) | 128 |
| C58—H58A···O16 | 0.99 | 2.58 | 3.221 (2) | 123 |
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| N2—H1 | 0.86 (3) | 2.32 (3) | 3.122 (3) | 157 (3) |
| N2—H2 | 0.84 (3) | 2.02 (3) | 2.684 (3) | 135 (2) |
| N4—H1 | 0.84 (3) | 2.20 (3) | 3.002 (2) | 160 (3) |
| N4—H2 | 0.87 (3) | 2.02 (3) | 2.675 (2) | 131 (3) |
| N6—H1 | 0.82 (3) | 2.07 (3) | 2.688 (3) | 132 (2) |
| N6—H2 | 0.83 (3) | 2.36 (3) | 3.152 (3) | 158 (2) |
| N6—H2 | 0.83 (3) | 2.49 (2) | 3.229 (3) | 149 (2) |
| N8—H1 | 0.86 (3) | 2.03 (3) | 2.674 (2) | 131 (3) |
| N8—H2 | 0.82 (3) | 2.22 (3) | 2.998 (2) | 160 (3) |
| C6—H6 | 0.95 | 2.48 | 3.261 (2) | 139 |
| C13—H13 | 0.95 | 2.57 | 3.350 (2) | 140 |
| C20—H20 | 0.95 | 2.54 | 3.338 (3) | 142 |
| C43—H43 | 0.99 | 2.58 | 3.544 (3) | 164 |
| C50—H50 | 0.99 | 2.56 | 3.304 (3) | 131 |
| C54—H54 | 0.99 | 2.51 | 3.210 (3) | 128 |
| C58—H58 | 0.99 | 2.58 | 3.221 (2) | 123 |
Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) .