| Literature DB >> 21836941 |
Md Abu Affan, Norrihan B Sam, Fasihuddin B Ahmad, Fraser White, Edward R T Tiekink.
Abstract
Two independent diphenyl-tin mol-ecules and two independent methanol mol-ecules comprise the asymmetric unit of the title compound, [Sn(C(6)H(5))(2)(C(17)H(14)N(2)O(3))]·CH(3)OH. The Sn atom in each is five-coordinated by a tridentate ligand and the ipso-C atoms of the Sn-bound benzene substituents. The resulting C(2)N(2)O donor set defines a coordination geometry that is inter-mediate between trigonal-bipyramidal (TP) and square-pyramidal (SP), with one mol-ecule slightly tending towards TP and the other slightly towards SP. The mol-ecules differ in terms of the relative orientations of the terminal benzene rings [dihedral angles = 45.71 (18) and 53.98 (17)°] and of the Sn-bound benzene substituents [dihedral angles = 59.5 (2) and 45.77 (18)°, respectively]. The most prominent feature of the crystal packing is the formation of four-mol-ecule aggregates via O-H⋯O and O-H⋯N hydrogen bonds, in which the hy-droxy group is connected to a methanol mol-ecule which, in turn, is linked to a non-coordinating N atom. Weak C-H⋯π inter-actions also occur.Entities:
Year: 2011 PMID: 21836941 PMCID: PMC3151954 DOI: 10.1107/S1600536811023415
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Sn(C6H5)2(C17H14N2O3)]·CH4O | |
| Monoclinic, | Cu |
| Hall symbol: -P 2ybc | Cell parameters from 10187 reflections |
| θ = 3.1–74.5° | |
| µ = 7.74 mm−1 | |
| β = 99.856 (1)° | Block, yellow |
| 0.37 × 0.29 × 0.17 mm | |
| Agilent SuperNova Dual Cu at zero Atlas diffractometer | 9175 independent reflections |
| Radiation source: SuperNova (Cu) X-ray Source | 8138 reflections with |
| mirror | |
| ω scans | θmax = 65.0°, θmin = 3.1° |
| Absorption correction: analytical ( | |
| 17500 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-atom parameters constrained | |
| 9175 reflections | (Δ/σ)max = 0.002 |
| 675 parameters | Δρmax = 0.46 e Å−3 |
| 0 restraints | Δρmin = −0.58 e Å−3 |
| Experimental. Agilent Technologies (2011) |
| Geometry. All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell s.u.'s is used for estimating s.u.'s involving l.s. planes. |
| Refinement. Refinement of |
| Sn1 | 0.913726 (11) | 0.613291 (8) | 0.89734 (2) | 0.02462 (7) | |
| O1 | 0.88488 (11) | 0.55161 (8) | 0.9894 (2) | 0.0312 (5) | |
| O2 | 0.84683 (13) | 0.42008 (9) | 1.4635 (2) | 0.0372 (6) | |
| H2O | 0.8817 | 0.4137 | 1.5236 | 0.056* | |
| O3 | 0.98171 (11) | 0.66440 (8) | 0.8377 (2) | 0.0296 (5) | |
| N1 | 1.00051 (14) | 0.55638 (10) | 1.1106 (2) | 0.0267 (6) | |
| N2 | 1.01155 (13) | 0.58776 (10) | 1.0125 (2) | 0.0250 (6) | |
| C1 | 0.93374 (17) | 0.53974 (12) | 1.0898 (3) | 0.0265 (7) | |
| C2 | 0.91311 (16) | 0.50704 (11) | 1.1859 (3) | 0.0245 (7) | |
| C3 | 0.84140 (17) | 0.49194 (12) | 1.1748 (3) | 0.0285 (7) | |
| H3 | 0.8064 | 0.5021 | 1.1026 | 0.034* | |
| C4 | 0.82033 (18) | 0.46251 (13) | 1.2667 (3) | 0.0307 (8) | |
| H4 | 0.7711 | 0.4528 | 1.2577 | 0.037* | |
| C5 | 0.87068 (17) | 0.44702 (12) | 1.3725 (3) | 0.0290 (7) | |
| C6 | 0.94380 (18) | 0.46045 (12) | 1.3823 (3) | 0.0309 (8) | |
| H6 | 0.9791 | 0.4494 | 1.4528 | 0.037* | |
| C7 | 0.96428 (17) | 0.48969 (12) | 1.2893 (3) | 0.0300 (8) | |
| H7 | 1.0139 | 0.4982 | 1.2956 | 0.036* | |
| C8 | 1.07935 (16) | 0.59773 (12) | 1.0015 (3) | 0.0256 (7) | |
| C9 | 1.14014 (17) | 0.57482 (13) | 1.0926 (3) | 0.0317 (8) | |
| H9A | 1.1415 | 0.5867 | 1.1819 | 0.048* | |
| H9B | 1.1864 | 0.5817 | 1.0639 | 0.048* | |
| H9C | 1.1323 | 0.5411 | 1.0918 | 0.048* | |
| C10 | 1.09663 (17) | 0.62921 (12) | 0.9064 (3) | 0.0273 (7) | |
| H10 | 1.1460 | 0.6297 | 0.8946 | 0.033* | |
| C11 | 1.05056 (17) | 0.65907 (12) | 0.8290 (3) | 0.0265 (7) | |
| C12 | 1.07698 (17) | 0.68986 (13) | 0.7317 (3) | 0.0303 (8) | |
| C13 | 1.13904 (19) | 0.67964 (14) | 0.6808 (3) | 0.0374 (9) | |
| H13 | 1.1653 | 0.6519 | 0.7073 | 0.045* | |
| C14 | 1.1632 (2) | 0.70882 (16) | 0.5929 (4) | 0.0492 (11) | |
| H14 | 1.2062 | 0.7013 | 0.5599 | 0.059* | |
| C15 | 1.1258 (2) | 0.74874 (18) | 0.5519 (5) | 0.0609 (14) | |
| H15 | 1.1432 | 0.7692 | 0.4921 | 0.073* | |
| C16 | 1.0627 (2) | 0.75882 (17) | 0.5988 (5) | 0.0606 (13) | |
| H16 | 1.0359 | 0.7861 | 0.5697 | 0.073* | |
| C17 | 1.0382 (2) | 0.72947 (15) | 0.6878 (4) | 0.0456 (10) | |
| H17 | 0.9945 | 0.7365 | 0.7189 | 0.055* | |
| C18 | 0.85967 (17) | 0.66046 (13) | 1.0053 (3) | 0.0309 (8) | |
| C19 | 0.8137 (2) | 0.64476 (16) | 1.0884 (4) | 0.0427 (9) | |
| H19 | 0.8083 | 0.6122 | 1.1000 | 0.051* | |
| C20 | 0.7761 (2) | 0.67520 (19) | 1.1540 (4) | 0.0555 (12) | |
| H20 | 0.7445 | 0.6639 | 1.2097 | 0.067* | |
| C21 | 0.7849 (2) | 0.7226 (2) | 1.1382 (5) | 0.0691 (16) | |
| H21 | 0.7601 | 0.7439 | 1.1851 | 0.083* | |
| C22 | 0.8298 (2) | 0.73929 (17) | 1.0541 (6) | 0.0684 (15) | |
| H22 | 0.8348 | 0.7718 | 1.0421 | 0.082* | |
| C23 | 0.8670 (2) | 0.70802 (15) | 0.9878 (5) | 0.0494 (11) | |
| H23 | 0.8977 | 0.7192 | 0.9302 | 0.059* | |
| C24 | 0.87277 (17) | 0.59245 (12) | 0.7023 (3) | 0.0290 (7) | |
| C25 | 0.8810 (3) | 0.62217 (15) | 0.6003 (4) | 0.0578 (13) | |
| H25 | 0.9056 | 0.6510 | 0.6185 | 0.069* | |
| C26 | 0.8534 (3) | 0.60990 (18) | 0.4715 (4) | 0.0714 (16) | |
| H26 | 0.8598 | 0.6300 | 0.4014 | 0.086* | |
| C27 | 0.8168 (2) | 0.56845 (16) | 0.4456 (4) | 0.0517 (11) | |
| H27 | 0.7965 | 0.5606 | 0.3576 | 0.062* | |
| C28 | 0.8093 (2) | 0.53846 (16) | 0.5448 (4) | 0.0470 (10) | |
| H28 | 0.7853 | 0.5095 | 0.5257 | 0.056* | |
| C29 | 0.83686 (18) | 0.55053 (14) | 0.6737 (4) | 0.0368 (8) | |
| H29 | 0.8311 | 0.5299 | 0.7430 | 0.044* | |
| Sn2 | 0.544563 (10) | 0.625910 (7) | 0.42618 (2) | 0.02395 (7) | |
| O4 | 0.58497 (11) | 0.56399 (8) | 0.5247 (2) | 0.0294 (5) | |
| O5 | 0.67111 (12) | 0.44090 (9) | 1.0327 (2) | 0.0362 (6) | |
| H5O | 0.6401 | 0.4291 | 1.0730 | 0.054* | |
| O6 | 0.46618 (11) | 0.67353 (8) | 0.3385 (2) | 0.0275 (5) | |
| N3 | 0.47311 (14) | 0.56128 (10) | 0.5916 (3) | 0.0266 (6) | |
| N4 | 0.45350 (13) | 0.59189 (10) | 0.4855 (3) | 0.0263 (6) | |
| C30 | 0.54222 (17) | 0.54933 (12) | 0.6031 (3) | 0.0265 (7) | |
| C31 | 0.57345 (17) | 0.51907 (11) | 0.7128 (3) | 0.0263 (7) | |
| C32 | 0.53045 (17) | 0.49582 (12) | 0.7912 (3) | 0.0296 (7) | |
| H32 | 0.4791 | 0.4983 | 0.7706 | 0.035* | |
| C33 | 0.56147 (17) | 0.46943 (12) | 0.8975 (3) | 0.0302 (7) | |
| H33 | 0.5316 | 0.4541 | 0.9499 | 0.036* | |
| C34 | 0.63680 (18) | 0.46532 (12) | 0.9277 (3) | 0.0289 (7) | |
| C35 | 0.67993 (18) | 0.48745 (12) | 0.8492 (3) | 0.0315 (8) | |
| H35 | 0.7313 | 0.4845 | 0.8690 | 0.038* | |
| C36 | 0.64864 (17) | 0.51351 (12) | 0.7431 (3) | 0.0293 (7) | |
| H36 | 0.6787 | 0.5280 | 0.6895 | 0.035* | |
| C37 | 0.38430 (16) | 0.59648 (12) | 0.4367 (3) | 0.0254 (7) | |
| C38 | 0.32879 (17) | 0.56738 (13) | 0.4907 (3) | 0.0344 (8) | |
| H38A | 0.3467 | 0.5354 | 0.5044 | 0.052* | |
| H38B | 0.2830 | 0.5674 | 0.4281 | 0.052* | |
| H38C | 0.3207 | 0.5805 | 0.5745 | 0.052* | |
| C39 | 0.36003 (17) | 0.62742 (12) | 0.3309 (3) | 0.0287 (7) | |
| H39 | 0.3113 | 0.6236 | 0.2873 | 0.034* | |
| C40 | 0.39911 (16) | 0.66212 (12) | 0.2850 (3) | 0.0256 (7) | |
| C41 | 0.36756 (16) | 0.69069 (12) | 0.1693 (3) | 0.0265 (7) | |
| C42 | 0.31586 (18) | 0.67235 (14) | 0.0691 (3) | 0.0364 (8) | |
| H42 | 0.2991 | 0.6413 | 0.0752 | 0.044* | |
| C43 | 0.2888 (2) | 0.69927 (16) | −0.0395 (4) | 0.0457 (10) | |
| H43 | 0.2534 | 0.6865 | −0.1072 | 0.055* | |
| C44 | 0.31245 (19) | 0.74418 (15) | −0.0508 (4) | 0.0403 (9) | |
| H44 | 0.2937 | 0.7624 | −0.1256 | 0.048* | |
| C45 | 0.3634 (2) | 0.76235 (15) | 0.0472 (4) | 0.0416 (9) | |
| H45 | 0.3801 | 0.7934 | 0.0402 | 0.050* | |
| C46 | 0.39095 (19) | 0.73594 (13) | 0.1562 (3) | 0.0345 (8) | |
| H46 | 0.4264 | 0.7490 | 0.2232 | 0.041* | |
| C47 | 0.58271 (17) | 0.60961 (12) | 0.2503 (3) | 0.0278 (7) | |
| C48 | 0.55966 (19) | 0.63494 (14) | 0.1365 (3) | 0.0363 (8) | |
| H48 | 0.5259 | 0.6597 | 0.1368 | 0.044* | |
| C49 | 0.5859 (2) | 0.62421 (15) | 0.0219 (4) | 0.0431 (10) | |
| H49 | 0.5707 | 0.6419 | −0.0556 | 0.052* | |
| C50 | 0.6342 (2) | 0.58782 (16) | 0.0211 (4) | 0.0460 (10) | |
| H50 | 0.6519 | 0.5804 | −0.0573 | 0.055* | |
| C51 | 0.6567 (2) | 0.56233 (15) | 0.1331 (4) | 0.0451 (10) | |
| H51 | 0.6897 | 0.5373 | 0.1317 | 0.054* | |
| C52 | 0.63146 (19) | 0.57301 (13) | 0.2479 (4) | 0.0356 (8) | |
| H52 | 0.6474 | 0.5554 | 0.3252 | 0.043* | |
| C53 | 0.59273 (16) | 0.66994 (12) | 0.5821 (3) | 0.0271 (7) | |
| C54 | 0.5622 (2) | 0.71212 (14) | 0.6050 (4) | 0.0415 (9) | |
| H54 | 0.5227 | 0.7239 | 0.5435 | 0.050* | |
| C55 | 0.5886 (2) | 0.73760 (16) | 0.7175 (4) | 0.0529 (11) | |
| H55 | 0.5663 | 0.7663 | 0.7332 | 0.064* | |
| C56 | 0.6464 (2) | 0.72180 (15) | 0.8055 (4) | 0.0456 (10) | |
| H56 | 0.6642 | 0.7394 | 0.8821 | 0.055* | |
| C57 | 0.6786 (2) | 0.68048 (15) | 0.7829 (4) | 0.0443 (10) | |
| H57 | 0.7192 | 0.6697 | 0.8435 | 0.053* | |
| C58 | 0.65233 (19) | 0.65424 (14) | 0.6718 (4) | 0.0394 (9) | |
| H58 | 0.6750 | 0.6256 | 0.6569 | 0.047* | |
| O7 | 0.58272 (16) | 0.40602 (10) | 0.1873 (3) | 0.0475 (7) | |
| H7O | 0.5726 | 0.4203 | 0.2528 | 0.071* | |
| C59 | 0.5821 (3) | 0.3582 (2) | 0.2101 (6) | 0.0833 (17) | |
| H59A | 0.6286 | 0.3488 | 0.2628 | 0.125* | |
| H59B | 0.5749 | 0.3416 | 0.1261 | 0.125* | |
| H59C | 0.5425 | 0.3506 | 0.2576 | 0.125* | |
| O8 | 0.04591 (17) | 0.60516 (10) | 0.3473 (3) | 0.0524 (8) | |
| H8O | 0.0352 | 0.5901 | 0.2770 | 0.079* | |
| C60 | 0.0200 (4) | 0.6484 (2) | 0.3296 (6) | 0.107 (2) | |
| H60A | 0.0245 | 0.6641 | 0.4147 | 0.160* | |
| H60B | −0.0313 | 0.6473 | 0.2884 | 0.160* | |
| H60C | 0.0477 | 0.6655 | 0.2727 | 0.160* |
| Sn1 | 0.02344 (11) | 0.02432 (12) | 0.02486 (11) | 0.00139 (8) | 0.00064 (8) | 0.00269 (8) |
| O1 | 0.0285 (11) | 0.0309 (13) | 0.0315 (12) | −0.0008 (10) | −0.0028 (10) | 0.0085 (11) |
| O2 | 0.0355 (13) | 0.0391 (15) | 0.0374 (13) | −0.0022 (11) | 0.0074 (11) | 0.0120 (12) |
| O3 | 0.0251 (11) | 0.0279 (13) | 0.0358 (12) | 0.0005 (9) | 0.0052 (10) | 0.0062 (10) |
| N1 | 0.0267 (13) | 0.0278 (15) | 0.0257 (13) | 0.0004 (12) | 0.0043 (11) | 0.0065 (12) |
| N2 | 0.0243 (13) | 0.0241 (15) | 0.0260 (13) | 0.0031 (11) | 0.0027 (11) | 0.0045 (11) |
| C1 | 0.0268 (16) | 0.0241 (17) | 0.0284 (16) | 0.0031 (13) | 0.0045 (14) | −0.0011 (14) |
| C2 | 0.0261 (16) | 0.0223 (17) | 0.0248 (16) | 0.0013 (13) | 0.0033 (13) | −0.0003 (13) |
| C3 | 0.0253 (16) | 0.0310 (19) | 0.0282 (16) | 0.0019 (14) | 0.0014 (13) | 0.0009 (15) |
| C4 | 0.0271 (16) | 0.035 (2) | 0.0303 (17) | −0.0036 (14) | 0.0058 (14) | 0.0004 (15) |
| C5 | 0.0318 (17) | 0.0277 (18) | 0.0284 (17) | −0.0012 (14) | 0.0080 (14) | 0.0021 (15) |
| C6 | 0.0299 (17) | 0.0313 (19) | 0.0301 (17) | −0.0007 (14) | 0.0014 (14) | 0.0045 (15) |
| C7 | 0.0233 (16) | 0.032 (2) | 0.0326 (17) | −0.0033 (14) | −0.0004 (14) | 0.0047 (15) |
| C8 | 0.0254 (16) | 0.0274 (18) | 0.0238 (15) | 0.0025 (13) | 0.0033 (13) | −0.0022 (14) |
| C9 | 0.0267 (16) | 0.034 (2) | 0.0345 (18) | 0.0035 (14) | 0.0048 (14) | 0.0078 (16) |
| C10 | 0.0254 (16) | 0.0298 (19) | 0.0270 (16) | 0.0001 (13) | 0.0055 (13) | 0.0021 (14) |
| C11 | 0.0305 (17) | 0.0251 (18) | 0.0236 (16) | −0.0024 (14) | 0.0037 (13) | −0.0037 (14) |
| C12 | 0.0305 (17) | 0.0316 (19) | 0.0273 (16) | −0.0035 (14) | 0.0007 (14) | 0.0065 (15) |
| C13 | 0.0359 (19) | 0.042 (2) | 0.0328 (18) | −0.0054 (17) | 0.0022 (16) | 0.0101 (17) |
| C14 | 0.039 (2) | 0.066 (3) | 0.043 (2) | −0.002 (2) | 0.0076 (18) | 0.018 (2) |
| C15 | 0.047 (2) | 0.070 (3) | 0.065 (3) | −0.006 (2) | 0.010 (2) | 0.038 (3) |
| C16 | 0.054 (3) | 0.053 (3) | 0.074 (3) | 0.007 (2) | 0.010 (2) | 0.035 (3) |
| C17 | 0.041 (2) | 0.044 (2) | 0.052 (2) | 0.0016 (18) | 0.0099 (18) | 0.017 (2) |
| C18 | 0.0238 (15) | 0.037 (2) | 0.0308 (17) | 0.0026 (14) | 0.0015 (14) | −0.0012 (15) |
| C19 | 0.039 (2) | 0.053 (3) | 0.035 (2) | 0.0079 (18) | 0.0040 (17) | 0.0037 (19) |
| C20 | 0.048 (2) | 0.080 (4) | 0.044 (2) | 0.010 (2) | 0.0208 (19) | −0.008 (2) |
| C21 | 0.050 (3) | 0.085 (4) | 0.075 (3) | 0.013 (3) | 0.015 (2) | −0.044 (3) |
| C22 | 0.050 (3) | 0.042 (3) | 0.114 (4) | 0.005 (2) | 0.016 (3) | −0.029 (3) |
| C23 | 0.038 (2) | 0.039 (2) | 0.074 (3) | −0.0014 (17) | 0.018 (2) | −0.011 (2) |
| C24 | 0.0308 (16) | 0.0282 (18) | 0.0266 (16) | 0.0033 (14) | 0.0012 (14) | −0.0028 (14) |
| C25 | 0.092 (3) | 0.038 (2) | 0.036 (2) | −0.018 (2) | −0.010 (2) | 0.0094 (19) |
| C26 | 0.111 (4) | 0.061 (3) | 0.035 (2) | −0.020 (3) | −0.011 (3) | 0.010 (2) |
| C27 | 0.058 (3) | 0.060 (3) | 0.033 (2) | −0.006 (2) | −0.0027 (19) | −0.013 (2) |
| C28 | 0.048 (2) | 0.050 (3) | 0.043 (2) | −0.016 (2) | 0.0094 (19) | −0.015 (2) |
| C29 | 0.0353 (19) | 0.038 (2) | 0.0384 (19) | −0.0087 (16) | 0.0110 (16) | 0.0006 (17) |
| Sn2 | 0.02155 (11) | 0.02523 (12) | 0.02636 (11) | 0.00062 (8) | 0.00779 (8) | 0.00407 (9) |
| O4 | 0.0268 (11) | 0.0286 (13) | 0.0354 (12) | 0.0052 (10) | 0.0127 (10) | 0.0096 (10) |
| O5 | 0.0348 (12) | 0.0356 (15) | 0.0378 (14) | 0.0066 (11) | 0.0049 (11) | 0.0128 (11) |
| O6 | 0.0223 (10) | 0.0278 (13) | 0.0315 (12) | −0.0006 (9) | 0.0024 (9) | 0.0048 (10) |
| N3 | 0.0253 (13) | 0.0280 (16) | 0.0275 (14) | 0.0017 (11) | 0.0073 (11) | 0.0074 (12) |
| N4 | 0.0254 (13) | 0.0249 (15) | 0.0289 (14) | −0.0005 (11) | 0.0059 (11) | 0.0034 (12) |
| C30 | 0.0280 (16) | 0.0235 (17) | 0.0292 (16) | −0.0001 (13) | 0.0083 (14) | −0.0004 (14) |
| C31 | 0.0293 (16) | 0.0219 (17) | 0.0280 (16) | 0.0015 (13) | 0.0058 (14) | 0.0008 (14) |
| C32 | 0.0247 (16) | 0.0287 (19) | 0.0355 (18) | −0.0004 (14) | 0.0057 (14) | 0.0052 (15) |
| C33 | 0.0302 (17) | 0.0280 (19) | 0.0329 (17) | −0.0021 (14) | 0.0072 (14) | 0.0068 (15) |
| C34 | 0.0349 (18) | 0.0228 (17) | 0.0292 (17) | 0.0033 (14) | 0.0061 (14) | −0.0008 (14) |
| C35 | 0.0265 (16) | 0.033 (2) | 0.0362 (18) | 0.0057 (14) | 0.0079 (14) | 0.0016 (16) |
| C36 | 0.0291 (17) | 0.0262 (18) | 0.0352 (18) | 0.0031 (14) | 0.0124 (14) | 0.0020 (15) |
| C37 | 0.0219 (15) | 0.0260 (18) | 0.0298 (16) | −0.0012 (13) | 0.0087 (13) | −0.0013 (14) |
| C38 | 0.0264 (17) | 0.040 (2) | 0.0382 (19) | −0.0060 (15) | 0.0086 (15) | 0.0058 (17) |
| C39 | 0.0239 (16) | 0.0326 (19) | 0.0296 (17) | −0.0001 (14) | 0.0047 (14) | 0.0011 (15) |
| C40 | 0.0273 (16) | 0.0261 (17) | 0.0243 (15) | 0.0048 (13) | 0.0071 (13) | −0.0026 (14) |
| C41 | 0.0219 (15) | 0.0322 (19) | 0.0269 (16) | 0.0030 (13) | 0.0090 (13) | 0.0000 (14) |
| C42 | 0.0364 (18) | 0.034 (2) | 0.0373 (19) | −0.0017 (16) | 0.0013 (16) | 0.0018 (16) |
| C43 | 0.041 (2) | 0.060 (3) | 0.0327 (19) | −0.0002 (19) | −0.0038 (17) | 0.0026 (19) |
| C44 | 0.0338 (19) | 0.056 (3) | 0.0326 (19) | 0.0110 (18) | 0.0101 (16) | 0.0173 (18) |
| C45 | 0.042 (2) | 0.041 (2) | 0.043 (2) | −0.0024 (17) | 0.0100 (18) | 0.0155 (18) |
| C46 | 0.0343 (18) | 0.035 (2) | 0.0330 (18) | −0.0053 (15) | 0.0025 (15) | 0.0073 (16) |
| C47 | 0.0269 (16) | 0.0313 (19) | 0.0270 (16) | −0.0050 (14) | 0.0096 (14) | −0.0030 (14) |
| C48 | 0.0356 (19) | 0.040 (2) | 0.0351 (19) | −0.0049 (16) | 0.0098 (16) | 0.0001 (17) |
| C49 | 0.049 (2) | 0.051 (3) | 0.0305 (19) | −0.0133 (19) | 0.0100 (17) | −0.0024 (18) |
| C50 | 0.052 (2) | 0.054 (3) | 0.037 (2) | −0.011 (2) | 0.0229 (18) | −0.017 (2) |
| C51 | 0.044 (2) | 0.042 (2) | 0.054 (2) | 0.0010 (18) | 0.0232 (19) | −0.012 (2) |
| C52 | 0.0373 (19) | 0.032 (2) | 0.0389 (19) | −0.0010 (16) | 0.0121 (16) | −0.0008 (16) |
| C53 | 0.0223 (15) | 0.0326 (19) | 0.0266 (16) | −0.0048 (13) | 0.0055 (13) | 0.0018 (14) |
| C54 | 0.0348 (19) | 0.038 (2) | 0.047 (2) | 0.0061 (17) | −0.0053 (17) | −0.0040 (18) |
| C55 | 0.048 (2) | 0.044 (3) | 0.063 (3) | 0.001 (2) | 0.000 (2) | −0.019 (2) |
| C56 | 0.046 (2) | 0.047 (3) | 0.043 (2) | −0.0163 (19) | 0.0046 (18) | −0.0058 (19) |
| C57 | 0.038 (2) | 0.050 (3) | 0.039 (2) | −0.0063 (18) | −0.0080 (17) | 0.0108 (19) |
| C58 | 0.0358 (19) | 0.037 (2) | 0.043 (2) | 0.0045 (16) | −0.0006 (17) | 0.0052 (17) |
| O7 | 0.0659 (18) | 0.0409 (16) | 0.0417 (15) | 0.0091 (14) | 0.0260 (14) | 0.0102 (13) |
| C59 | 0.096 (4) | 0.078 (4) | 0.082 (4) | 0.019 (3) | 0.033 (3) | 0.006 (3) |
| O8 | 0.0736 (19) | 0.0423 (17) | 0.0349 (14) | 0.0028 (15) | −0.0089 (14) | 0.0018 (13) |
| C60 | 0.123 (5) | 0.087 (5) | 0.089 (4) | 0.028 (4) | −0.040 (4) | −0.027 (4) |
| Sn1—O1 | 2.124 (2) | O4—C30 | 1.302 (4) |
| Sn1—O3 | 2.102 (2) | O5—C34 | 1.357 (4) |
| Sn1—N2 | 2.133 (2) | O5—H5O | 0.8400 |
| Sn1—C18 | 2.118 (4) | O6—C40 | 1.322 (4) |
| Sn1—C24 | 2.117 (3) | N3—C30 | 1.322 (4) |
| O1—C1 | 1.305 (4) | N3—N4 | 1.404 (4) |
| O2—C5 | 1.350 (4) | N4—C37 | 1.312 (4) |
| O2—H2O | 0.8400 | C30—C31 | 1.468 (4) |
| O3—C11 | 1.314 (4) | C31—C36 | 1.395 (4) |
| N1—C1 | 1.319 (4) | C31—C32 | 1.404 (5) |
| N1—N2 | 1.399 (4) | C32—C33 | 1.378 (4) |
| N2—C8 | 1.322 (4) | C32—H32 | 0.9500 |
| C1—C2 | 1.466 (5) | C33—C34 | 1.393 (5) |
| C2—C3 | 1.394 (4) | C33—H33 | 0.9500 |
| C2—C7 | 1.398 (4) | C34—C35 | 1.392 (5) |
| C3—C4 | 1.379 (5) | C35—C36 | 1.372 (5) |
| C3—H3 | 0.9500 | C35—H35 | 0.9500 |
| C4—C5 | 1.388 (5) | C36—H36 | 0.9500 |
| C4—H4 | 0.9500 | C37—C39 | 1.422 (5) |
| C5—C6 | 1.407 (5) | C37—C38 | 1.511 (4) |
| C6—C7 | 1.379 (5) | C38—H38A | 0.9800 |
| C6—H6 | 0.9500 | C38—H38B | 0.9800 |
| C7—H7 | 0.9500 | C38—H38C | 0.9800 |
| C8—C10 | 1.413 (5) | C39—C40 | 1.368 (5) |
| C8—C9 | 1.498 (4) | C39—H39 | 0.9500 |
| C9—H9A | 0.9800 | C40—C41 | 1.486 (4) |
| C9—H9B | 0.9800 | C41—C46 | 1.385 (5) |
| C9—H9C | 0.9800 | C41—C42 | 1.394 (5) |
| C10—C11 | 1.371 (5) | C42—C43 | 1.385 (5) |
| C10—H10 | 0.9500 | C42—H42 | 0.9500 |
| C11—C12 | 1.486 (5) | C43—C44 | 1.375 (6) |
| C12—C17 | 1.383 (5) | C43—H43 | 0.9500 |
| C12—C13 | 1.384 (5) | C44—C45 | 1.370 (5) |
| C13—C14 | 1.368 (5) | C44—H44 | 0.9500 |
| C13—H13 | 0.9500 | C45—C46 | 1.382 (5) |
| C14—C15 | 1.371 (6) | C45—H45 | 0.9500 |
| C14—H14 | 0.9500 | C46—H46 | 0.9500 |
| C15—C16 | 1.380 (6) | C47—C48 | 1.388 (5) |
| C15—H15 | 0.9500 | C47—C52 | 1.394 (5) |
| C16—C17 | 1.382 (6) | C48—C49 | 1.392 (5) |
| C16—H16 | 0.9500 | C48—H48 | 0.9500 |
| C17—H17 | 0.9500 | C49—C50 | 1.381 (6) |
| C18—C23 | 1.388 (5) | C49—H49 | 0.9500 |
| C18—C19 | 1.389 (5) | C50—C51 | 1.374 (6) |
| C19—C20 | 1.372 (6) | C50—H50 | 0.9500 |
| C19—H19 | 0.9500 | C51—C52 | 1.384 (5) |
| C20—C21 | 1.385 (7) | C51—H51 | 0.9500 |
| C20—H20 | 0.9500 | C52—H52 | 0.9500 |
| C21—C22 | 1.392 (7) | C53—C54 | 1.377 (5) |
| C21—H21 | 0.9500 | C53—C58 | 1.396 (5) |
| C22—C23 | 1.387 (6) | C54—C55 | 1.391 (5) |
| C22—H22 | 0.9500 | C54—H54 | 0.9500 |
| C23—H23 | 0.9500 | C55—C56 | 1.365 (6) |
| C24—C25 | 1.385 (5) | C55—H55 | 0.9500 |
| C24—C29 | 1.385 (5) | C56—C57 | 1.369 (6) |
| C25—C26 | 1.389 (6) | C56—H56 | 0.9500 |
| C25—H25 | 0.9500 | C57—C58 | 1.391 (5) |
| C26—C27 | 1.377 (6) | C57—H57 | 0.9500 |
| C26—H26 | 0.9500 | C58—H58 | 0.9500 |
| C27—C28 | 1.365 (6) | O7—C59 | 1.394 (6) |
| C27—H27 | 0.9500 | O7—H7O | 0.8400 |
| C28—C29 | 1.389 (5) | C59—H59A | 0.9800 |
| C28—H28 | 0.9500 | C59—H59B | 0.9800 |
| C29—H29 | 0.9500 | C59—H59C | 0.9800 |
| Sn2—O4 | 2.123 (2) | O8—C60 | 1.334 (6) |
| Sn2—O6 | 2.094 (2) | O8—H8O | 0.8400 |
| Sn2—N4 | 2.141 (3) | C60—H60A | 0.9800 |
| Sn2—C47 | 2.116 (3) | C60—H60B | 0.9800 |
| Sn2—C53 | 2.124 (3) | C60—H60C | 0.9800 |
| O3—Sn1—C24 | 93.22 (11) | C47—Sn2—N4 | 123.12 (11) |
| O3—Sn1—C18 | 94.26 (12) | C53—Sn2—N4 | 107.98 (11) |
| C24—Sn1—C18 | 123.74 (12) | O4—Sn2—N4 | 73.44 (9) |
| O3—Sn1—O1 | 157.92 (8) | C30—O4—Sn2 | 111.35 (19) |
| C24—Sn1—O1 | 96.48 (11) | C34—O5—H5O | 109.5 |
| C18—Sn1—O1 | 96.73 (12) | C40—O6—Sn2 | 124.2 (2) |
| O3—Sn1—N2 | 84.31 (9) | C30—N3—N4 | 110.7 (3) |
| C24—Sn1—N2 | 124.73 (11) | C37—N4—N3 | 118.1 (3) |
| C18—Sn1—N2 | 111.49 (11) | C37—N4—Sn2 | 128.5 (2) |
| O1—Sn1—N2 | 73.86 (9) | N3—N4—Sn2 | 113.31 (18) |
| C1—O1—Sn1 | 112.2 (2) | O4—C30—N3 | 123.6 (3) |
| C5—O2—H2O | 109.5 | O4—C30—C31 | 117.9 (3) |
| C11—O3—Sn1 | 125.9 (2) | N3—C30—C31 | 118.5 (3) |
| C1—N1—N2 | 111.6 (2) | C36—C31—C32 | 118.0 (3) |
| C8—N2—N1 | 117.7 (2) | C36—C31—C30 | 119.6 (3) |
| C8—N2—Sn1 | 128.3 (2) | C32—C31—C30 | 122.4 (3) |
| N1—N2—Sn1 | 114.07 (18) | C33—C32—C31 | 121.2 (3) |
| O1—C1—N1 | 123.3 (3) | C33—C32—H32 | 119.4 |
| O1—C1—C2 | 118.5 (3) | C31—C32—H32 | 119.4 |
| N1—C1—C2 | 118.2 (3) | C32—C33—C34 | 119.7 (3) |
| C3—C2—C7 | 118.3 (3) | C32—C33—H33 | 120.1 |
| C3—C2—C1 | 120.3 (3) | C34—C33—H33 | 120.1 |
| C7—C2—C1 | 121.5 (3) | O5—C34—C35 | 117.5 (3) |
| C4—C3—C2 | 121.2 (3) | O5—C34—C33 | 122.9 (3) |
| C4—C3—H3 | 119.4 | C35—C34—C33 | 119.6 (3) |
| C2—C3—H3 | 119.4 | C36—C35—C34 | 120.3 (3) |
| C3—C4—C5 | 120.3 (3) | C36—C35—H35 | 119.8 |
| C3—C4—H4 | 119.8 | C34—C35—H35 | 119.8 |
| C5—C4—H4 | 119.8 | C35—C36—C31 | 121.1 (3) |
| O2—C5—C4 | 118.2 (3) | C35—C36—H36 | 119.4 |
| O2—C5—C6 | 122.7 (3) | C31—C36—H36 | 119.4 |
| C4—C5—C6 | 119.2 (3) | N4—C37—C39 | 121.5 (3) |
| C7—C6—C5 | 120.0 (3) | N4—C37—C38 | 119.7 (3) |
| C7—C6—H6 | 120.0 | C39—C37—C38 | 118.8 (3) |
| C5—C6—H6 | 120.0 | C37—C38—H38A | 109.5 |
| C6—C7—C2 | 121.0 (3) | C37—C38—H38B | 109.5 |
| C6—C7—H7 | 119.5 | H38A—C38—H38B | 109.5 |
| C2—C7—H7 | 119.5 | C37—C38—H38C | 109.5 |
| N2—C8—C10 | 122.3 (3) | H38A—C38—H38C | 109.5 |
| N2—C8—C9 | 119.0 (3) | H38B—C38—H38C | 109.5 |
| C10—C8—C9 | 118.7 (3) | C40—C39—C37 | 127.1 (3) |
| C8—C9—H9A | 109.5 | C40—C39—H39 | 116.4 |
| C8—C9—H9B | 109.5 | C37—C39—H39 | 116.4 |
| H9A—C9—H9B | 109.5 | O6—C40—C39 | 124.0 (3) |
| C8—C9—H9C | 109.5 | O6—C40—C41 | 114.6 (3) |
| H9A—C9—H9C | 109.5 | C39—C40—C41 | 121.3 (3) |
| H9B—C9—H9C | 109.5 | C46—C41—C42 | 118.2 (3) |
| C11—C10—C8 | 127.6 (3) | C46—C41—C40 | 120.6 (3) |
| C11—C10—H10 | 116.2 | C42—C41—C40 | 121.2 (3) |
| C8—C10—H10 | 116.2 | C43—C42—C41 | 120.1 (4) |
| O3—C11—C10 | 123.9 (3) | C43—C42—H42 | 119.9 |
| O3—C11—C12 | 114.8 (3) | C41—C42—H42 | 119.9 |
| C10—C11—C12 | 121.3 (3) | C44—C43—C42 | 121.0 (4) |
| C17—C12—C13 | 118.4 (3) | C44—C43—H43 | 119.5 |
| C17—C12—C11 | 119.8 (3) | C42—C43—H43 | 119.5 |
| C13—C12—C11 | 121.9 (3) | C45—C44—C43 | 119.2 (3) |
| C14—C13—C12 | 121.0 (4) | C45—C44—H44 | 120.4 |
| C14—C13—H13 | 119.5 | C43—C44—H44 | 120.4 |
| C12—C13—H13 | 119.5 | C44—C45—C46 | 120.5 (4) |
| C15—C14—C13 | 120.6 (4) | C44—C45—H45 | 119.7 |
| C15—C14—H14 | 119.7 | C46—C45—H45 | 119.7 |
| C13—C14—H14 | 119.7 | C41—C46—C45 | 121.0 (3) |
| C14—C15—C16 | 119.2 (4) | C41—C46—H46 | 119.5 |
| C14—C15—H15 | 120.4 | C45—C46—H46 | 119.5 |
| C16—C15—H15 | 120.4 | C48—C47—C52 | 119.3 (3) |
| C15—C16—C17 | 120.3 (4) | C48—C47—Sn2 | 120.7 (3) |
| C15—C16—H16 | 119.8 | C52—C47—Sn2 | 120.0 (3) |
| C17—C16—H16 | 119.8 | C47—C48—C49 | 120.1 (4) |
| C16—C17—C12 | 120.4 (4) | C47—C48—H48 | 119.9 |
| C16—C17—H17 | 119.8 | C49—C48—H48 | 119.9 |
| C12—C17—H17 | 119.8 | C50—C49—C48 | 119.9 (4) |
| C23—C18—C19 | 119.0 (4) | C50—C49—H49 | 120.1 |
| C23—C18—Sn1 | 119.6 (3) | C48—C49—H49 | 120.1 |
| C19—C18—Sn1 | 121.3 (3) | C51—C50—C49 | 120.3 (4) |
| C20—C19—C18 | 121.5 (4) | C51—C50—H50 | 119.8 |
| C20—C19—H19 | 119.3 | C49—C50—H50 | 119.8 |
| C18—C19—H19 | 119.3 | C50—C51—C52 | 120.3 (4) |
| C19—C20—C21 | 119.2 (4) | C50—C51—H51 | 119.9 |
| C19—C20—H20 | 120.4 | C52—C51—H51 | 119.9 |
| C21—C20—H20 | 120.4 | C51—C52—C47 | 120.1 (4) |
| C20—C21—C22 | 120.6 (4) | C51—C52—H52 | 119.9 |
| C20—C21—H21 | 119.7 | C47—C52—H52 | 119.9 |
| C22—C21—H21 | 119.7 | C54—C53—C58 | 118.5 (3) |
| C23—C22—C21 | 119.5 (5) | C54—C53—Sn2 | 121.4 (2) |
| C23—C22—H22 | 120.3 | C58—C53—Sn2 | 119.8 (3) |
| C21—C22—H22 | 120.3 | C53—C54—C55 | 120.5 (3) |
| C22—C23—C18 | 120.3 (4) | C53—C54—H54 | 119.7 |
| C22—C23—H23 | 119.9 | C55—C54—H54 | 119.7 |
| C18—C23—H23 | 119.9 | C56—C55—C54 | 120.6 (4) |
| C25—C24—C29 | 119.1 (3) | C56—C55—H55 | 119.7 |
| C25—C24—Sn1 | 118.8 (3) | C54—C55—H55 | 119.7 |
| C29—C24—Sn1 | 122.1 (3) | C55—C56—C57 | 119.7 (4) |
| C24—C25—C26 | 120.1 (4) | C55—C56—H56 | 120.2 |
| C24—C25—H25 | 119.9 | C57—C56—H56 | 120.2 |
| C26—C25—H25 | 119.9 | C56—C57—C58 | 120.5 (3) |
| C27—C26—C25 | 119.8 (4) | C56—C57—H57 | 119.7 |
| C27—C26—H26 | 120.1 | C58—C57—H57 | 119.7 |
| C25—C26—H26 | 120.1 | C57—C58—C53 | 120.1 (4) |
| C28—C27—C26 | 120.8 (4) | C57—C58—H58 | 119.9 |
| C28—C27—H27 | 119.6 | C53—C58—H58 | 119.9 |
| C26—C27—H27 | 119.6 | C59—O7—H7O | 109.5 |
| C27—C28—C29 | 119.7 (4) | O7—C59—H59A | 109.5 |
| C27—C28—H28 | 120.2 | O7—C59—H59B | 109.5 |
| C29—C28—H28 | 120.2 | H59A—C59—H59B | 109.5 |
| C24—C29—C28 | 120.5 (4) | O7—C59—H59C | 109.5 |
| C24—C29—H29 | 119.7 | H59A—C59—H59C | 109.5 |
| C28—C29—H29 | 119.7 | H59B—C59—H59C | 109.5 |
| O6—Sn2—C47 | 94.94 (11) | C60—O8—H8O | 109.5 |
| O6—Sn2—C53 | 96.51 (11) | O8—C60—H60A | 109.5 |
| C47—Sn2—C53 | 128.51 (12) | O8—C60—H60B | 109.5 |
| O6—Sn2—O4 | 156.93 (8) | H60A—C60—H60B | 109.5 |
| C47—Sn2—O4 | 94.72 (11) | O8—C60—H60C | 109.5 |
| C53—Sn2—O4 | 93.76 (11) | H60A—C60—H60C | 109.5 |
| O6—Sn2—N4 | 83.75 (9) | H60B—C60—H60C | 109.5 |
| O3—Sn1—O1—C1 | 27.1 (4) | O6—Sn2—O4—C30 | −31.2 (4) |
| C24—Sn1—O1—C1 | 142.6 (2) | C47—Sn2—O4—C30 | −145.7 (2) |
| C18—Sn1—O1—C1 | −92.2 (2) | C53—Sn2—O4—C30 | 85.2 (2) |
| N2—Sn1—O1—C1 | 18.2 (2) | N4—Sn2—O4—C30 | −22.5 (2) |
| C24—Sn1—O3—C11 | −94.8 (3) | C47—Sn2—O6—C40 | 88.0 (2) |
| C18—Sn1—O3—C11 | 141.0 (2) | C53—Sn2—O6—C40 | −142.3 (2) |
| O1—Sn1—O3—C11 | 21.3 (4) | O4—Sn2—O6—C40 | −26.4 (4) |
| N2—Sn1—O3—C11 | 29.8 (2) | N4—Sn2—O6—C40 | −34.8 (2) |
| C1—N1—N2—C8 | −162.8 (3) | C30—N3—N4—C37 | 160.5 (3) |
| C1—N1—N2—Sn1 | 16.8 (3) | C30—N3—N4—Sn2 | −20.0 (3) |
| O3—Sn1—N2—C8 | −16.0 (3) | O6—Sn2—N4—C37 | 19.1 (3) |
| C24—Sn1—N2—C8 | 74.0 (3) | C47—Sn2—N4—C37 | −72.7 (3) |
| C18—Sn1—N2—C8 | −108.3 (3) | C53—Sn2—N4—C37 | 113.9 (3) |
| O1—Sn1—N2—C8 | 160.7 (3) | O4—Sn2—N4—C37 | −157.5 (3) |
| O3—Sn1—N2—N1 | 164.4 (2) | O6—Sn2—N4—N3 | −160.4 (2) |
| C24—Sn1—N2—N1 | −105.6 (2) | C47—Sn2—N4—N3 | 107.8 (2) |
| C18—Sn1—N2—N1 | 72.0 (2) | C53—Sn2—N4—N3 | −65.5 (2) |
| O1—Sn1—N2—N1 | −18.9 (2) | O4—Sn2—N4—N3 | 23.0 (2) |
| Sn1—O1—C1—N1 | −16.5 (4) | Sn2—O4—C30—N3 | 20.9 (4) |
| Sn1—O1—C1—C2 | 162.1 (2) | Sn2—O4—C30—C31 | −157.0 (2) |
| N2—N1—C1—O1 | −0.1 (5) | N4—N3—C30—O4 | −0.7 (5) |
| N2—N1—C1—C2 | −178.7 (3) | N4—N3—C30—C31 | 177.2 (3) |
| O1—C1—C2—C3 | −4.8 (5) | O4—C30—C31—C36 | 10.9 (5) |
| N1—C1—C2—C3 | 173.9 (3) | N3—C30—C31—C36 | −167.1 (3) |
| O1—C1—C2—C7 | 174.3 (3) | O4—C30—C31—C32 | −170.3 (3) |
| N1—C1—C2—C7 | −7.0 (5) | N3—C30—C31—C32 | 11.6 (5) |
| C7—C2—C3—C4 | 3.3 (5) | C36—C31—C32—C33 | 2.0 (5) |
| C1—C2—C3—C4 | −177.7 (3) | C30—C31—C32—C33 | −176.8 (3) |
| C2—C3—C4—C5 | −0.4 (5) | C31—C32—C33—C34 | −0.5 (5) |
| C3—C4—C5—O2 | 176.8 (3) | C32—C33—C34—O5 | 178.3 (3) |
| C3—C4—C5—C6 | −2.1 (5) | C32—C33—C34—C35 | −0.8 (5) |
| O2—C5—C6—C7 | −177.1 (3) | O5—C34—C35—C36 | −178.6 (3) |
| C4—C5—C6—C7 | 1.8 (5) | C33—C34—C35—C36 | 0.5 (5) |
| C5—C6—C7—C2 | 1.1 (5) | C34—C35—C36—C31 | 1.0 (5) |
| C3—C2—C7—C6 | −3.6 (5) | C32—C31—C36—C35 | −2.2 (5) |
| C1—C2—C7—C6 | 177.3 (3) | C30—C31—C36—C35 | 176.6 (3) |
| N1—N2—C8—C10 | −179.5 (3) | N3—N4—C37—C39 | 178.8 (3) |
| Sn1—N2—C8—C10 | 0.9 (5) | Sn2—N4—C37—C39 | −0.6 (5) |
| N1—N2—C8—C9 | 0.6 (4) | N3—N4—C37—C38 | −3.0 (5) |
| Sn1—N2—C8—C9 | −179.0 (2) | Sn2—N4—C37—C38 | 177.6 (2) |
| N2—C8—C10—C11 | 11.6 (6) | N4—C37—C39—C40 | −14.5 (6) |
| C9—C8—C10—C11 | −168.6 (3) | C38—C37—C39—C40 | 167.2 (3) |
| Sn1—O3—C11—C10 | −29.6 (4) | Sn2—O6—C40—C39 | 34.4 (4) |
| Sn1—O3—C11—C12 | 153.2 (2) | Sn2—O6—C40—C41 | −146.4 (2) |
| C8—C10—C11—O3 | 3.7 (6) | C37—C39—C40—O6 | −3.5 (6) |
| C8—C10—C11—C12 | −179.3 (3) | C37—C39—C40—C41 | 177.4 (3) |
| O3—C11—C12—C17 | 18.9 (5) | O6—C40—C41—C46 | −27.2 (4) |
| C10—C11—C12—C17 | −158.4 (3) | C39—C40—C41—C46 | 152.0 (3) |
| O3—C11—C12—C13 | −159.6 (3) | O6—C40—C41—C42 | 150.4 (3) |
| C10—C11—C12—C13 | 23.0 (5) | C39—C40—C41—C42 | −30.4 (5) |
| C17—C12—C13—C14 | 2.5 (6) | C46—C41—C42—C43 | −0.5 (5) |
| C11—C12—C13—C14 | −178.9 (3) | C40—C41—C42—C43 | −178.2 (3) |
| C12—C13—C14—C15 | −0.7 (6) | C41—C42—C43—C44 | 0.3 (6) |
| C13—C14—C15—C16 | −1.1 (7) | C42—C43—C44—C45 | −0.1 (6) |
| C14—C15—C16—C17 | 1.2 (8) | C43—C44—C45—C46 | 0.0 (6) |
| C15—C16—C17—C12 | 0.5 (7) | C42—C41—C46—C45 | 0.5 (5) |
| C13—C12—C17—C16 | −2.3 (6) | C40—C41—C46—C45 | 178.1 (3) |
| C11—C12—C17—C16 | 179.0 (4) | C44—C45—C46—C41 | −0.2 (6) |
| O3—Sn1—C18—C23 | 14.1 (3) | O6—Sn2—C47—C48 | 8.8 (3) |
| C24—Sn1—C18—C23 | −82.7 (3) | C53—Sn2—C47—C48 | −93.6 (3) |
| O1—Sn1—C18—C23 | 174.9 (3) | O4—Sn2—C47—C48 | 167.8 (3) |
| N2—Sn1—C18—C23 | 99.6 (3) | N4—Sn2—C47—C48 | 94.5 (3) |
| O3—Sn1—C18—C19 | −169.4 (3) | O6—Sn2—C47—C52 | −171.1 (3) |
| C24—Sn1—C18—C19 | 93.9 (3) | C53—Sn2—C47—C52 | 86.5 (3) |
| O1—Sn1—C18—C19 | −8.5 (3) | O4—Sn2—C47—C52 | −12.1 (3) |
| N2—Sn1—C18—C19 | −83.8 (3) | N4—Sn2—C47—C52 | −85.4 (3) |
| C23—C18—C19—C20 | −0.5 (6) | C52—C47—C48—C49 | −0.9 (5) |
| Sn1—C18—C19—C20 | −177.1 (3) | Sn2—C47—C48—C49 | 179.2 (3) |
| C18—C19—C20—C21 | −0.8 (6) | C47—C48—C49—C50 | 1.0 (6) |
| C19—C20—C21—C22 | 1.7 (7) | C48—C49—C50—C51 | −0.4 (6) |
| C20—C21—C22—C23 | −1.3 (7) | C49—C50—C51—C52 | −0.3 (6) |
| C21—C22—C23—C18 | 0.0 (7) | C50—C51—C52—C47 | 0.3 (6) |
| C19—C18—C23—C22 | 0.9 (6) | C48—C47—C52—C51 | 0.3 (5) |
| Sn1—C18—C23—C22 | 177.5 (3) | Sn2—C47—C52—C51 | −179.8 (3) |
| O3—Sn1—C24—C25 | −18.0 (3) | O6—Sn2—C53—C54 | 8.4 (3) |
| C18—Sn1—C24—C25 | 79.3 (4) | C47—Sn2—C53—C54 | 110.1 (3) |
| O1—Sn1—C24—C25 | −178.1 (3) | O4—Sn2—C53—C54 | −150.9 (3) |
| N2—Sn1—C24—C25 | −103.3 (3) | N4—Sn2—C53—C54 | −77.1 (3) |
| O3—Sn1—C24—C29 | 163.2 (3) | O6—Sn2—C53—C58 | −178.1 (3) |
| C18—Sn1—C24—C29 | −99.5 (3) | C47—Sn2—C53—C58 | −76.5 (3) |
| O1—Sn1—C24—C29 | 3.1 (3) | O4—Sn2—C53—C58 | 22.6 (3) |
| N2—Sn1—C24—C29 | 77.9 (3) | N4—Sn2—C53—C58 | 96.3 (3) |
| C29—C24—C25—C26 | 0.1 (7) | C58—C53—C54—C55 | −2.2 (6) |
| Sn1—C24—C25—C26 | −178.7 (4) | Sn2—C53—C54—C55 | 171.3 (3) |
| C24—C25—C26—C27 | 1.0 (8) | C53—C54—C55—C56 | 1.5 (7) |
| C25—C26—C27—C28 | −2.2 (8) | C54—C55—C56—C57 | 0.0 (7) |
| C26—C27—C28—C29 | 2.1 (7) | C55—C56—C57—C58 | −0.8 (6) |
| C25—C24—C29—C28 | −0.2 (6) | C56—C57—C58—C53 | 0.1 (6) |
| Sn1—C24—C29—C28 | 178.5 (3) | C54—C53—C58—C57 | 1.4 (6) |
| C27—C28—C29—C24 | −0.9 (6) | Sn2—C53—C58—C57 | −172.2 (3) |
| Cg1, Cg2 and Cg3 are the centroids of the C31–C36, C18–C23 and C12–C17 rings, respectively. |
| H··· | ||||
| O2—H2o···O8i | 0.84 | 1.81 | 2.650 (4) | 175 |
| O5—H5o···O7ii | 0.84 | 1.85 | 2.681 (4) | 170 |
| O7—H7o···N3iii | 0.84 | 2.02 | 2.830 (4) | 163 |
| O8—H8o···N1iv | 0.84 | 1.98 | 2.821 (4) | 175 |
| C50—H50···Cg1v | 0.95 | 2.91 | 3.440 (5) | 116 |
| C57—H57···Cg2 | 0.95 | 2.84 | 3.664 (4) | 145 |
| C60—H60a···Cg3vi | 0.98 | 2.98 | 3.886 (6) | 155 |
Selected bond lengths (Å)
| Sn1—O1 | 2.124 (2) |
| Sn1—O3 | 2.102 (2) |
| Sn1—N2 | 2.133 (2) |
| Sn1—C18 | 2.118 (4) |
| Sn1—C24 | 2.117 (3) |
| Sn2—O4 | 2.123 (2) |
| Sn2—O6 | 2.094 (2) |
| Sn2—N4 | 2.141 (3) |
| Sn2—C47 | 2.116 (3) |
| Sn2—C53 | 2.124 (3) |
Hydrogen-bond geometry (Å, °)
Cg1, Cg2 and Cg3 are the centroids of the C31–C36, C18–C23 and C12–C17 rings, respectively.
| H⋯ | ||||
|---|---|---|---|---|
| O2—H2o⋯O8i | 0.84 | 1.81 | 2.650 (4) | 175 |
| O5—H5o⋯O7ii | 0.84 | 1.85 | 2.681 (4) | 170 |
| O7—H7o⋯N3iii | 0.84 | 2.02 | 2.830 (4) | 163 |
| O8—H8o⋯N1iv | 0.84 | 1.98 | 2.821 (4) | 175 |
| C50—H50⋯ | 0.95 | 2.91 | 3.440 (5) | 116 |
| C57—H57⋯ | 0.95 | 2.84 | 3.664 (4) | 145 |
| C60—H60a⋯ | 0.98 | 2.98 | 3.886 (6) | 155 |
Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) ; (vi) .