| Literature DB >> 25553005 |
Kaijun Luo1, Hanlin Liu1, Qing Guo1, Daibing Luo2.
Abstract
The central Pt(II) atom in the title compound, [Pt(C40H47N2O3)(C24H45O2)], has a slightly distorted square-planar coordination environment. The dihedral angle between the plane formed by Pt and the chelating C and N atoms and that formed by Pt and the chelating O atoms is 2.1 (3)°. The angle between the planes of the two rings in the biphenyl-4-carbo-nitrile unit is 35.1 (5)°. One lateral alkane chain is disordered over two sets of sites with site occupancy factors in a 0.595 (7):0.405 (7) ratio.Entities:
Keywords: 9-oxotetracos-7-en-7-olate; crystal structure; platinum(II) complex
Year: 2014 PMID: 25553005 PMCID: PMC4257408 DOI: 10.1107/S1600536814021928
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Pt(C40H47N2O3)(C24H45O2)] | |
| Triclinic, | |
| Hall symbol: -P 1 | Mo |
| Cell parameters from 6800 reflections | |
| θ = 2.9–29.1° | |
| µ = 2.30 mm−1 | |
| α = 88.215 (3)° | |
| β = 78.816 (3)° | Plate, yellow |
| γ = 83.072 (3)° | 0.23 × 0.20 × 0.07 mm |
| Oxford Diffraction Xcalibur, Eos diffractometer | 10933 independent reflections |
| Radiation source: Enhance (Mo) X-ray Source | 7310 reflections with |
| Graphite monochromator | |
| Detector resolution: 16.0874 pixels mm-1 | θmax = 25.0°, θmin = 3.1° |
| ω scans | |
| Absorption correction: multi-scan ( | |
| 25616 measured reflections |
| Refinement on | 50 restraints |
| Least-squares matrix: full | H-atom parameters constrained |
| (Δ/σ)max = 0.002 | |
| Δρmax = 1.42 e Å−3 | |
| 10933 reflections | Δρmin = −0.59 e Å−3 |
| 609 parameters |
| 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) | |||||
| Pt1 | 0.24385 (3) | 0.104200 (16) | 0.880858 (12) | 0.07868 (15) | |
| O1 | 0.0386 (6) | 0.0611 (3) | 0.9070 (2) | 0.0864 (14) | |
| O2 | 0.1414 (9) | 0.1965 (4) | 0.9350 (3) | 0.1312 (14) | |
| O3 | 0.8301 (6) | 0.0681 (3) | 0.7414 (2) | 0.0847 (13) | |
| O4 | 1.2933 (6) | −0.0392 (3) | 0.5417 (3) | 0.1008 (16) | |
| O5 | 0.3111 (6) | −0.1570 (3) | 0.7671 (3) | 0.1007 (16) | |
| N1 | 0.4586 (7) | 0.1377 (3) | 0.8511 (3) | 0.0708 (15) | |
| N2 | 1.969 (2) | −0.4363 (9) | 0.1741 (7) | 0.260 (8) | |
| C1 | 0.5707 (8) | 0.0925 (4) | 0.8084 (3) | 0.0685 (18) | |
| C2 | 0.7280 (9) | 0.1124 (4) | 0.7858 (3) | 0.0729 (19) | |
| C3 | 0.7677 (10) | 0.1755 (5) | 0.8086 (4) | 0.090 (2) | |
| H3 | 0.8710 | 0.1888 | 0.7945 | 0.108* | |
| C4 | 0.6523 (12) | 0.2177 (5) | 0.8523 (4) | 0.093 (2) | |
| H4 | 0.6775 | 0.2597 | 0.8686 | 0.111* | |
| C5 | 0.5027 (11) | 0.1986 (4) | 0.8716 (4) | 0.085 (2) | |
| H5 | 0.4259 | 0.2287 | 0.9005 | 0.102* | |
| C6 | 0.5083 (8) | 0.0258 (4) | 0.7930 (3) | 0.0665 (17) | |
| C7 | 0.5978 (8) | −0.0286 (4) | 0.7512 (3) | 0.0733 (18) | |
| H7 | 0.7029 | −0.0244 | 0.7286 | 0.088* | |
| C8 | 0.5254 (9) | −0.0885 (4) | 0.7445 (4) | 0.083 (2) | |
| H8 | 0.5830 | −0.1253 | 0.7168 | 0.100* | |
| C9 | 0.3678 (9) | −0.0957 (5) | 0.7782 (4) | 0.082 (2) | |
| C10 | 0.2801 (8) | −0.0411 (4) | 0.8183 (3) | 0.0727 (18) | |
| H10 | 0.1741 | −0.0451 | 0.8398 | 0.087* | |
| C11 | 0.3515 (7) | 0.0216 (4) | 0.8270 (3) | 0.0675 (18) | |
| C12 | 0.9947 (9) | 0.0833 (5) | 0.7188 (4) | 0.088 (2) | |
| H12A | 1.0487 | 0.0844 | 0.7574 | 0.106* | |
| H12B | 0.9976 | 0.1290 | 0.6952 | 0.106* | |
| C13 | 1.0748 (9) | 0.0232 (5) | 0.6706 (4) | 0.091 (2) | |
| H13A | 1.0194 | 0.0236 | 0.6324 | 0.109* | |
| H13B | 1.0639 | −0.0219 | 0.6946 | 0.109* | |
| C14 | 1.2529 (9) | 0.0289 (5) | 0.6435 (4) | 0.099 (3) | |
| H14A | 1.2627 | 0.0693 | 0.6125 | 0.119* | |
| H14B | 1.3040 | 0.0377 | 0.6815 | 0.119* | |
| C15 | 1.3406 (10) | −0.0368 (5) | 0.6068 (4) | 0.101 (3) | |
| H15A | 1.4564 | −0.0356 | 0.6004 | 0.121* | |
| H15B | 1.3137 | −0.0790 | 0.6335 | 0.121* | |
| C16 | 1.3701 (9) | −0.0925 (5) | 0.4992 (4) | 0.092 (2) | |
| C17 | 1.4668 (11) | −0.1505 (5) | 0.5184 (4) | 0.108 (3) | |
| H17 | 1.4813 | −0.1558 | 0.5634 | 0.129* | |
| C18 | 1.5423 (11) | −0.2008 (5) | 0.4700 (4) | 0.111 (3) | |
| H18 | 1.6028 | −0.2409 | 0.4840 | 0.133* | |
| C19 | 1.5316 (10) | −0.1939 (5) | 0.4021 (4) | 0.092 (2) | |
| C20 | 1.4322 (10) | −0.1347 (5) | 0.3843 (4) | 0.096 (2) | |
| H20 | 1.4198 | −0.1294 | 0.3390 | 0.115* | |
| C21 | 1.3527 (9) | −0.0845 (5) | 0.4303 (4) | 0.092 (2) | |
| H21 | 1.2882 | −0.0456 | 0.4165 | 0.110* | |
| C22 | 1.6224 (11) | −0.2455 (5) | 0.3514 (4) | 0.101 (3) | |
| C23 | 1.6491 (16) | −0.3181 (6) | 0.3678 (5) | 0.148 (4) | |
| H23 | 1.6043 | −0.3337 | 0.4113 | 0.178* | |
| C24 | 1.7386 (19) | −0.3664 (7) | 0.3222 (7) | 0.181 (6) | |
| H24 | 1.7565 | −0.4140 | 0.3348 | 0.217* | |
| C25 | 1.8031 (17) | −0.3439 (7) | 0.2565 (6) | 0.151 (4) | |
| C26 | 1.7752 (12) | −0.2741 (6) | 0.2373 (5) | 0.118 (3) | |
| H26 | 1.8153 | −0.2594 | 0.1930 | 0.141* | |
| C27 | 1.6871 (11) | −0.2262 (6) | 0.2845 (4) | 0.102 (3) | |
| H27 | 1.6697 | −0.1787 | 0.2713 | 0.122* | |
| C28 | 1.892 (2) | −0.3965 (8) | 0.2113 (7) | 0.196 (7) | |
| C29 | 0.1523 (10) | −0.1683 (5) | 0.8017 (4) | 0.105 (3) | |
| H29A | 0.0721 | −0.1355 | 0.7845 | 0.126* | |
| H29B | 0.1408 | −0.1607 | 0.8504 | 0.126* | |
| C30 | 0.1290 (13) | −0.2456 (6) | 0.7882 (5) | 0.139 (4) | |
| H30A | 0.2150 | −0.2776 | 0.8022 | 0.167* | |
| H30B | 0.0272 | −0.2568 | 0.8154 | 0.167* | |
| C31 | 0.1294 (14) | −0.2569 (6) | 0.7170 (5) | 0.146 (4) | |
| H31A | 0.2213 | −0.2376 | 0.6890 | 0.175* | |
| H31B | 0.0317 | −0.2321 | 0.7049 | 0.175* | |
| C32 | 0.1388 (16) | −0.3392 (6) | 0.7021 (6) | 0.154 (4) | |
| H32A | 0.2264 | −0.3645 | 0.7212 | 0.185* | |
| H32B | 0.0391 | −0.3564 | 0.7251 | 0.185* | |
| C33 | 0.1643 (17) | −0.3555 (6) | 0.6299 (6) | 0.166 (5) | |
| H33A | 0.2596 | −0.3346 | 0.6071 | 0.199* | |
| H33B | 0.0732 | −0.3317 | 0.6121 | 0.199* | |
| C34 | 0.1852 (16) | −0.4328 (5) | 0.6100 (6) | 0.146 (4) | |
| H34A | 0.2724 | −0.4572 | 0.6300 | 0.175* | |
| H34B | 0.0873 | −0.4530 | 0.6305 | 0.175* | |
| C35 | 0.2200 (17) | −0.4484 (6) | 0.5363 (6) | 0.156 (4) | |
| H35A | 0.1303 | −0.4252 | 0.5171 | 0.188* | |
| H35B | 0.3145 | −0.4256 | 0.5158 | 0.188* | |
| C36 | 0.2483 (15) | −0.5221 (6) | 0.5139 (5) | 0.139 (4) | |
| H36A | 0.1546 | −0.5450 | 0.5350 | 0.167* | |
| H36B | 0.3392 | −0.5450 | 0.5325 | 0.167* | |
| C37 | 0.2809 (16) | −0.5378 (6) | 0.4398 (6) | 0.153 (4) | |
| H37A | 0.1893 | −0.5161 | 0.4210 | 0.184* | |
| H37B | 0.3740 | −0.5147 | 0.4182 | 0.184* | |
| C38 | 0.3112 (17) | −0.6134 (6) | 0.4204 (6) | 0.156 (4) | |
| H38A | 0.2170 | −0.6363 | 0.4409 | 0.187* | |
| H38B | 0.4012 | −0.6354 | 0.4401 | 0.187* | |
| C39 | 0.3474 (17) | −0.6282 (7) | 0.3463 (6) | 0.171 (5) | |
| H39A | 0.2584 | −0.6054 | 0.3264 | 0.205* | |
| H39B | 0.4429 | −0.6061 | 0.3259 | 0.205* | |
| C40 | 0.375 (2) | −0.7038 (8) | 0.3270 (7) | 0.215 (7) | |
| H40A | 0.4323 | −0.7084 | 0.2806 | 0.323* | |
| H40B | 0.2724 | −0.7220 | 0.3310 | 0.323* | |
| H40C | 0.4367 | −0.7302 | 0.3568 | 0.323* | |
| C41 | −0.0896 (9) | 0.0900 (5) | 0.9480 (4) | 0.091 (3) | |
| C42 | −0.1078 (11) | 0.1551 (6) | 0.9779 (4) | 0.111 (3) | |
| H42 | −0.2066 | 0.1676 | 1.0068 | 0.133* | |
| C43 | 0.0003 (16) | 0.2050 (6) | 0.9712 (6) | 0.1312 (14) | |
| C44 | −0.2244 (10) | 0.0416 (6) | 0.9605 (4) | 0.107 (3) | |
| H44A | −0.2503 | 0.0317 | 1.0092 | 0.129* | |
| H44B | −0.3198 | 0.0677 | 0.9478 | 0.129* | |
| C45 | −0.1905 (9) | −0.0283 (5) | 0.9235 (4) | 0.096 (3) | |
| H45A | −0.0971 | −0.0556 | 0.9368 | 0.115* | |
| H45B | −0.1641 | −0.0192 | 0.8747 | 0.115* | |
| C46 | −0.3305 (9) | −0.0718 (5) | 0.9381 (4) | 0.099 (3) | |
| H46A | −0.3608 | −0.0786 | 0.9871 | 0.118* | |
| H46B | −0.4221 | −0.0454 | 0.9225 | 0.118* | |
| C47 | −0.2946 (10) | −0.1431 (6) | 0.9044 (4) | 0.113 (3) | |
| H47A | −0.2639 | −0.1358 | 0.8555 | 0.136* | |
| H47B | −0.2020 | −0.1688 | 0.9199 | 0.136* | |
| C48 | −0.4285 (13) | −0.1890 (7) | 0.9171 (5) | 0.134 (4) | |
| H48A | −0.4585 | −0.1968 | 0.9660 | 0.161* | |
| H48B | −0.5215 | −0.1632 | 0.9021 | 0.161* | |
| C49 | −0.3936 (17) | −0.2591 (8) | 0.8834 (7) | 0.193 (6) | |
| H49A | −0.3858 | −0.2526 | 0.8350 | 0.289* | |
| H49B | −0.4790 | −0.2876 | 0.9009 | 0.289* | |
| H49C | −0.2933 | −0.2827 | 0.8925 | 0.289* | |
| C50 | −0.025 (2) | 0.2803 (9) | 1.0074 (10) | 0.1312 (14) | 0.595 (7) |
| H50A | −0.0691 | 0.2755 | 1.0558 | 0.157* | 0.595 (7) |
| H50B | 0.0769 | 0.2999 | 1.0023 | 0.157* | 0.595 (7) |
| C62 | −1.009 (4) | 0.8053 (15) | 1.4640 (12) | 0.151 (2) | 0.595 (7) |
| H62A | −1.1167 | 0.8057 | 1.4545 | 0.181* | 0.595 (7) |
| H62B | −0.9582 | 0.8427 | 1.4367 | 0.181* | 0.595 (7) |
| C60 | −0.878 (4) | 0.7127 (12) | 1.3689 (13) | 0.151 (2) | 0.595 (7) |
| H60A | −0.8091 | 0.7465 | 1.3451 | 0.181* | 0.595 (7) |
| H60B | −0.9805 | 0.7229 | 1.3538 | 0.181* | 0.595 (7) |
| C61 | −0.912 (4) | 0.7339 (14) | 1.4424 (13) | 0.151 (2) | 0.595 (7) |
| H61A | −0.8091 | 0.7329 | 1.4567 | 0.181* | 0.595 (7) |
| H61B | −0.9686 | 0.6972 | 1.4685 | 0.181* | 0.595 (7) |
| C64 | −1.113 (3) | 0.8968 (10) | 1.5474 (10) | 0.151 (2) | 0.595 (7) |
| H64A | −1.1772 | 0.9052 | 1.5128 | 0.226* | 0.595 (7) |
| H64B | −1.0365 | 0.9310 | 1.5427 | 0.226* | 0.595 (7) |
| H64C | −1.1816 | 0.9012 | 1.5918 | 0.226* | 0.595 (7) |
| C63 | −1.022 (3) | 0.8213 (11) | 1.5396 (11) | 0.151 (2) | 0.595 (7) |
| H63A | −0.9155 | 0.8201 | 1.5511 | 0.181* | 0.595 (7) |
| H63B | −1.0815 | 0.7875 | 1.5685 | 0.181* | 0.595 (7) |
| C58 | −0.686 (3) | 0.6430 (11) | 1.2697 (12) | 0.151 (2) | 0.595 (7) |
| H58A | −0.5852 | 0.6593 | 1.2756 | 0.181* | 0.595 (7) |
| H58B | −0.7318 | 0.6740 | 1.2370 | 0.181* | 0.595 (7) |
| C59 | −0.806 (3) | 0.6415 (12) | 1.3394 (11) | 0.151 (2) | 0.595 (7) |
| H59A | −0.8935 | 0.6150 | 1.3334 | 0.181* | 0.595 (7) |
| H59B | −0.7505 | 0.6155 | 1.3723 | 0.181* | 0.595 (7) |
| C56 | −0.559 (2) | 0.5630 (9) | 1.1725 (8) | 0.1312 (14) | 0.595 (7) |
| H56A | −0.5023 | 0.6050 | 1.1642 | 0.157* | 0.595 (7) |
| H56B | −0.6302 | 0.5632 | 1.1399 | 0.157* | 0.595 (7) |
| C57 | −0.657 (2) | 0.5640 (10) | 1.2453 (10) | 0.151 (2) | 0.595 (7) |
| H57A | −0.5979 | 0.5345 | 1.2751 | 0.181* | 0.595 (7) |
| H57B | −0.7591 | 0.5459 | 1.2463 | 0.181* | 0.595 (7) |
| C51 | −0.144 (2) | 0.3293 (8) | 0.9724 (8) | 0.1312 (14) | 0.595 (7) |
| H51A | −0.2483 | 0.3112 | 0.9824 | 0.157* | 0.595 (7) |
| H51B | −0.1059 | 0.3268 | 0.9233 | 0.157* | 0.595 (7) |
| C52 | −0.168 (2) | 0.4101 (8) | 0.9945 (7) | 0.1312 (14) | 0.595 (7) |
| H52A | −0.0654 | 0.4293 | 0.9884 | 0.157* | 0.595 (7) |
| H52B | −0.2379 | 0.4388 | 0.9683 | 0.157* | 0.595 (7) |
| C54 | −0.316 (2) | 0.4857 (8) | 1.0949 (8) | 0.1312 (14) | 0.595 (7) |
| H54A | −0.2255 | 0.5118 | 1.0971 | 0.157* | 0.595 (7) |
| H54B | −0.3719 | 0.5090 | 1.0606 | 0.157* | 0.595 (7) |
| C53 | −0.247 (2) | 0.4074 (8) | 1.0701 (8) | 0.1312 (14) | 0.595 (7) |
| H53A | −0.1683 | 0.3873 | 1.0968 | 0.157* | 0.595 (7) |
| H53B | −0.3342 | 0.3775 | 1.0764 | 0.157* | 0.595 (7) |
| C55 | −0.429 (2) | 0.4915 (9) | 1.1628 (8) | 0.1312 (14) | 0.595 (7) |
| H55A | −0.3657 | 0.4902 | 1.1985 | 0.157* | 0.595 (7) |
| H55B | −0.4882 | 0.4502 | 1.1691 | 0.157* | 0.595 (7) |
| C50A | −0.079 (3) | 0.2691 (11) | 1.0120 (13) | 0.1312 (14) | 0.405 (7) |
| H50C | −0.0479 | 0.2672 | 1.0565 | 0.157* | 0.405 (7) |
| H50D | −0.1952 | 0.2711 | 1.0187 | 0.157* | 0.405 (7) |
| C51A | −0.023 (4) | 0.3336 (11) | 0.9727 (12) | 0.1312 (14) | 0.405 (7) |
| H51C | −0.0626 | 0.3389 | 0.9301 | 0.157* | 0.405 (7) |
| H51D | 0.0940 | 0.3305 | 0.9628 | 0.157* | 0.405 (7) |
| C52A | −0.099 (3) | 0.3978 (13) | 1.0228 (13) | 0.1312 (14) | 0.405 (7) |
| H52C | −0.0362 | 0.4372 | 1.0094 | 0.157* | 0.405 (7) |
| H52D | −0.0833 | 0.3832 | 1.0684 | 0.157* | 0.405 (7) |
| C53A | −0.290 (3) | 0.4289 (12) | 1.0289 (14) | 0.1312 (14) | 0.405 (7) |
| H53C | −0.3097 | 0.4271 | 0.9827 | 0.157* | 0.405 (7) |
| H53D | −0.3489 | 0.3929 | 1.0547 | 0.157* | 0.405 (7) |
| C54A | −0.383 (3) | 0.5025 (12) | 1.0582 (11) | 0.1312 (14) | 0.405 (7) |
| H54C | −0.3036 | 0.5350 | 1.0590 | 0.157* | 0.405 (7) |
| H54D | −0.4499 | 0.5219 | 1.0261 | 0.157* | 0.405 (7) |
| C55A | −0.491 (3) | 0.5024 (13) | 1.1296 (11) | 0.1312 (14) | 0.405 (7) |
| H55C | −0.4704 | 0.4561 | 1.1504 | 0.157* | 0.405 (7) |
| H55D | −0.6030 | 0.5078 | 1.1238 | 0.157* | 0.405 (7) |
| C56A | −0.473 (3) | 0.5612 (14) | 1.1816 (12) | 0.1312 (14) | 0.405 (7) |
| H56C | −0.3649 | 0.5510 | 1.1909 | 0.157* | 0.405 (7) |
| H56D | −0.4763 | 0.6062 | 1.1568 | 0.157* | 0.405 (7) |
| C57A | −0.585 (3) | 0.5752 (16) | 1.2507 (14) | 0.151 (2) | 0.405 (7) |
| H57C | −0.5130 | 0.5803 | 1.2820 | 0.181* | 0.405 (7) |
| H57D | −0.6284 | 0.5303 | 1.2630 | 0.181* | 0.405 (7) |
| C58A | −0.732 (4) | 0.6331 (17) | 1.2738 (15) | 0.151 (2) | 0.405 (7) |
| H58C | −0.7159 | 0.6746 | 1.2445 | 0.181* | 0.405 (7) |
| H58D | −0.8284 | 0.6149 | 1.2657 | 0.181* | 0.405 (7) |
| C59A | −0.763 (4) | 0.6576 (17) | 1.3484 (14) | 0.151 (2) | 0.405 (7) |
| H59C | −0.8154 | 0.6217 | 1.3775 | 0.181* | 0.405 (7) |
| H59D | −0.6606 | 0.6613 | 1.3616 | 0.181* | 0.405 (7) |
| C60A | −0.869 (6) | 0.7290 (19) | 1.361 (2) | 0.151 (2) | 0.405 (7) |
| H60C | −0.8034 | 0.7680 | 1.3508 | 0.181* | 0.405 (7) |
| H60D | −0.9501 | 0.7338 | 1.3327 | 0.181* | 0.405 (7) |
| C61A | −0.947 (5) | 0.729 (2) | 1.4362 (18) | 0.151 (2) | 0.405 (7) |
| H61C | −0.8758 | 0.7016 | 1.4626 | 0.181* | 0.405 (7) |
| H61D | −1.0475 | 0.7075 | 1.4426 | 0.181* | 0.405 (7) |
| C62A | −0.980 (6) | 0.807 (2) | 1.4593 (17) | 0.151 (2) | 0.405 (7) |
| H62C | −0.8788 | 0.8266 | 1.4555 | 0.181* | 0.405 (7) |
| H62D | −1.0440 | 0.8343 | 1.4300 | 0.181* | 0.405 (7) |
| C63A | −1.072 (4) | 0.8108 (17) | 1.5336 (14) | 0.151 (2) | 0.405 (7) |
| H63C | −1.0124 | 0.7752 | 1.5583 | 0.181* | 0.405 (7) |
| H63D | −1.1742 | 0.7934 | 1.5331 | 0.181* | 0.405 (7) |
| C64A | −1.113 (4) | 0.8766 (15) | 1.5802 (14) | 0.151 (2) | 0.405 (7) |
| H64D | −1.0301 | 0.9076 | 1.5683 | 0.226* | 0.405 (7) |
| H64E | −1.1196 | 0.8616 | 1.6271 | 0.226* | 0.405 (7) |
| H64F | −1.2148 | 0.9015 | 1.5744 | 0.226* | 0.405 (7) |
| Pt1 | 0.0873 (2) | 0.0880 (3) | 0.05385 (18) | 0.01122 (16) | −0.00836 (13) | −0.01002 (14) |
| O1 | 0.089 (3) | 0.089 (4) | 0.067 (3) | 0.027 (3) | −0.003 (2) | −0.010 (3) |
| O2 | 0.146 (4) | 0.122 (3) | 0.115 (3) | 0.033 (3) | −0.024 (2) | −0.028 (2) |
| O3 | 0.073 (3) | 0.095 (4) | 0.082 (3) | −0.009 (3) | −0.003 (2) | −0.013 (3) |
| O4 | 0.094 (4) | 0.125 (5) | 0.079 (3) | 0.006 (3) | −0.019 (3) | −0.006 (3) |
| O5 | 0.092 (4) | 0.087 (4) | 0.115 (4) | −0.020 (3) | 0.010 (3) | −0.029 (3) |
| N1 | 0.085 (4) | 0.070 (4) | 0.055 (3) | 0.012 (3) | −0.019 (3) | −0.013 (3) |
| N2 | 0.317 (19) | 0.246 (17) | 0.179 (12) | 0.085 (14) | −0.014 (12) | −0.079 (12) |
| C1 | 0.066 (4) | 0.093 (6) | 0.048 (3) | 0.002 (4) | −0.020 (3) | −0.006 (3) |
| C2 | 0.090 (5) | 0.069 (5) | 0.061 (4) | 0.000 (4) | −0.022 (4) | −0.002 (3) |
| C3 | 0.103 (6) | 0.091 (6) | 0.074 (5) | −0.010 (5) | −0.015 (4) | −0.007 (4) |
| C4 | 0.115 (7) | 0.085 (6) | 0.086 (5) | −0.015 (5) | −0.037 (5) | −0.007 (4) |
| C5 | 0.103 (6) | 0.086 (6) | 0.067 (4) | 0.005 (5) | −0.024 (4) | −0.015 (4) |
| C6 | 0.069 (4) | 0.074 (5) | 0.055 (4) | −0.001 (4) | −0.012 (3) | −0.002 (3) |
| C7 | 0.062 (4) | 0.081 (5) | 0.073 (4) | 0.001 (4) | −0.006 (3) | −0.014 (4) |
| C8 | 0.076 (5) | 0.093 (6) | 0.075 (5) | 0.001 (4) | −0.004 (4) | −0.028 (4) |
| C9 | 0.080 (5) | 0.088 (6) | 0.072 (4) | −0.005 (4) | 0.001 (4) | −0.013 (4) |
| C10 | 0.064 (4) | 0.084 (5) | 0.066 (4) | −0.009 (4) | −0.004 (3) | 0.000 (4) |
| C11 | 0.045 (3) | 0.100 (6) | 0.053 (4) | 0.001 (3) | −0.005 (3) | 0.011 (3) |
| C12 | 0.079 (5) | 0.108 (7) | 0.076 (5) | −0.013 (4) | −0.008 (4) | 0.005 (4) |
| C13 | 0.075 (5) | 0.107 (7) | 0.089 (5) | −0.010 (4) | −0.013 (4) | −0.001 (5) |
| C14 | 0.092 (6) | 0.123 (8) | 0.085 (5) | −0.025 (5) | −0.015 (4) | 0.001 (5) |
| C15 | 0.095 (6) | 0.133 (8) | 0.072 (5) | −0.010 (5) | −0.011 (4) | −0.009 (5) |
| C16 | 0.080 (5) | 0.114 (7) | 0.081 (5) | −0.006 (5) | −0.012 (4) | −0.001 (5) |
| C17 | 0.126 (7) | 0.120 (8) | 0.076 (5) | 0.004 (6) | −0.027 (5) | 0.010 (5) |
| C18 | 0.144 (8) | 0.105 (7) | 0.076 (5) | 0.022 (6) | −0.026 (5) | 0.006 (5) |
| C19 | 0.107 (6) | 0.097 (6) | 0.074 (5) | −0.013 (5) | −0.024 (4) | 0.014 (5) |
| C20 | 0.102 (6) | 0.118 (7) | 0.070 (5) | −0.011 (5) | −0.023 (4) | 0.010 (5) |
| C21 | 0.085 (5) | 0.108 (7) | 0.082 (5) | −0.012 (5) | −0.017 (4) | 0.011 (5) |
| C22 | 0.127 (7) | 0.092 (7) | 0.081 (6) | 0.002 (5) | −0.022 (5) | 0.006 (5) |
| C23 | 0.226 (12) | 0.110 (9) | 0.091 (7) | 0.017 (8) | −0.012 (7) | 0.008 (7) |
| C24 | 0.292 (17) | 0.112 (10) | 0.116 (9) | 0.034 (10) | −0.023 (10) | −0.001 (8) |
| C25 | 0.213 (13) | 0.133 (11) | 0.089 (8) | 0.026 (9) | −0.012 (7) | −0.021 (7) |
| C26 | 0.137 (8) | 0.135 (10) | 0.071 (6) | 0.009 (7) | −0.011 (5) | −0.008 (6) |
| C27 | 0.114 (7) | 0.124 (8) | 0.070 (5) | −0.016 (6) | −0.024 (5) | 0.014 (5) |
| C28 | 0.288 (19) | 0.152 (13) | 0.118 (10) | 0.068 (12) | −0.015 (10) | −0.040 (9) |
| C29 | 0.101 (6) | 0.111 (7) | 0.101 (6) | −0.033 (5) | 0.005 (5) | −0.021 (5) |
| C30 | 0.140 (9) | 0.156 (10) | 0.117 (8) | −0.058 (8) | 0.014 (6) | −0.038 (7) |
| C31 | 0.172 (10) | 0.154 (11) | 0.125 (8) | −0.068 (8) | −0.031 (7) | −0.016 (7) |
| C32 | 0.203 (12) | 0.128 (10) | 0.140 (9) | −0.020 (8) | −0.049 (8) | −0.042 (8) |
| C33 | 0.206 (13) | 0.119 (10) | 0.169 (11) | −0.024 (9) | −0.021 (9) | −0.049 (8) |
| C34 | 0.209 (12) | 0.088 (7) | 0.142 (9) | −0.002 (7) | −0.042 (8) | −0.027 (7) |
| C35 | 0.215 (13) | 0.099 (9) | 0.151 (11) | −0.012 (8) | −0.023 (9) | −0.038 (7) |
| C36 | 0.208 (12) | 0.090 (8) | 0.122 (8) | −0.015 (7) | −0.040 (8) | −0.006 (6) |
| C37 | 0.229 (14) | 0.108 (9) | 0.115 (9) | −0.022 (9) | −0.008 (8) | −0.020 (7) |
| C38 | 0.217 (13) | 0.125 (10) | 0.124 (9) | −0.032 (9) | −0.019 (8) | −0.023 (7) |
| C39 | 0.224 (14) | 0.142 (11) | 0.134 (10) | −0.005 (10) | −0.005 (9) | −0.038 (8) |
| C40 | 0.278 (18) | 0.184 (15) | 0.170 (12) | −0.041 (13) | 0.009 (11) | −0.066 (11) |
| C41 | 0.076 (5) | 0.130 (8) | 0.054 (4) | 0.023 (5) | −0.001 (4) | 0.009 (5) |
| C42 | 0.109 (6) | 0.142 (8) | 0.062 (5) | 0.057 (4) | −0.006 (4) | −0.028 (5) |
| C43 | 0.146 (4) | 0.122 (3) | 0.115 (3) | 0.033 (3) | −0.024 (2) | −0.028 (2) |
| C44 | 0.088 (6) | 0.154 (9) | 0.060 (5) | 0.038 (6) | 0.002 (4) | 0.010 (5) |
| C45 | 0.061 (5) | 0.145 (8) | 0.070 (5) | 0.013 (5) | −0.003 (4) | 0.014 (5) |
| C46 | 0.084 (6) | 0.141 (8) | 0.063 (4) | 0.009 (5) | −0.010 (4) | 0.012 (5) |
| C47 | 0.083 (6) | 0.177 (11) | 0.086 (6) | −0.037 (7) | −0.026 (5) | 0.026 (6) |
| C48 | 0.120 (8) | 0.184 (12) | 0.103 (7) | −0.045 (8) | −0.019 (6) | 0.005 (8) |
| C49 | 0.181 (13) | 0.203 (15) | 0.197 (13) | −0.079 (12) | −0.004 (10) | −0.031 (12) |
| C50 | 0.146 (4) | 0.122 (3) | 0.115 (3) | 0.033 (3) | −0.024 (2) | −0.028 (2) |
| C62 | 0.171 (6) | 0.128 (4) | 0.140 (4) | −0.007 (4) | −0.006 (4) | −0.002 (4) |
| C60 | 0.171 (6) | 0.128 (4) | 0.140 (4) | −0.007 (4) | −0.006 (4) | −0.002 (4) |
| C61 | 0.171 (6) | 0.128 (4) | 0.140 (4) | −0.007 (4) | −0.006 (4) | −0.002 (4) |
| C64 | 0.171 (6) | 0.128 (4) | 0.140 (4) | −0.007 (4) | −0.006 (4) | −0.002 (4) |
| C63 | 0.171 (6) | 0.128 (4) | 0.140 (4) | −0.007 (4) | −0.006 (4) | −0.002 (4) |
| C58 | 0.171 (6) | 0.128 (4) | 0.140 (4) | −0.007 (4) | −0.006 (4) | −0.002 (4) |
| C59 | 0.171 (6) | 0.128 (4) | 0.140 (4) | −0.007 (4) | −0.006 (4) | −0.002 (4) |
| C56 | 0.146 (4) | 0.122 (3) | 0.115 (3) | 0.033 (3) | −0.024 (2) | −0.028 (2) |
| C57 | 0.171 (6) | 0.128 (4) | 0.140 (4) | −0.007 (4) | −0.006 (4) | −0.002 (4) |
| C51 | 0.146 (4) | 0.122 (3) | 0.115 (3) | 0.033 (3) | −0.024 (2) | −0.028 (2) |
| C52 | 0.146 (4) | 0.122 (3) | 0.115 (3) | 0.033 (3) | −0.024 (2) | −0.028 (2) |
| C54 | 0.146 (4) | 0.122 (3) | 0.115 (3) | 0.033 (3) | −0.024 (2) | −0.028 (2) |
| C53 | 0.146 (4) | 0.122 (3) | 0.115 (3) | 0.033 (3) | −0.024 (2) | −0.028 (2) |
| C55 | 0.146 (4) | 0.122 (3) | 0.115 (3) | 0.033 (3) | −0.024 (2) | −0.028 (2) |
| C50A | 0.146 (4) | 0.122 (3) | 0.115 (3) | 0.033 (3) | −0.024 (2) | −0.028 (2) |
| C51A | 0.146 (4) | 0.122 (3) | 0.115 (3) | 0.033 (3) | −0.024 (2) | −0.028 (2) |
| C52A | 0.146 (4) | 0.122 (3) | 0.115 (3) | 0.033 (3) | −0.024 (2) | −0.028 (2) |
| C53A | 0.146 (4) | 0.122 (3) | 0.115 (3) | 0.033 (3) | −0.024 (2) | −0.028 (2) |
| C54A | 0.146 (4) | 0.122 (3) | 0.115 (3) | 0.033 (3) | −0.024 (2) | −0.028 (2) |
| C55A | 0.146 (4) | 0.122 (3) | 0.115 (3) | 0.033 (3) | −0.024 (2) | −0.028 (2) |
| C56A | 0.146 (4) | 0.122 (3) | 0.115 (3) | 0.033 (3) | −0.024 (2) | −0.028 (2) |
| C57A | 0.171 (6) | 0.128 (4) | 0.140 (4) | −0.007 (4) | −0.006 (4) | −0.002 (4) |
| C58A | 0.171 (6) | 0.128 (4) | 0.140 (4) | −0.007 (4) | −0.006 (4) | −0.002 (4) |
| C59A | 0.171 (6) | 0.128 (4) | 0.140 (4) | −0.007 (4) | −0.006 (4) | −0.002 (4) |
| C60A | 0.171 (6) | 0.128 (4) | 0.140 (4) | −0.007 (4) | −0.006 (4) | −0.002 (4) |
| C61A | 0.171 (6) | 0.128 (4) | 0.140 (4) | −0.007 (4) | −0.006 (4) | −0.002 (4) |
| C62A | 0.171 (6) | 0.128 (4) | 0.140 (4) | −0.007 (4) | −0.006 (4) | −0.002 (4) |
| C63A | 0.171 (6) | 0.128 (4) | 0.140 (4) | −0.007 (4) | −0.006 (4) | −0.002 (4) |
| C64A | 0.171 (6) | 0.128 (4) | 0.140 (4) | −0.007 (4) | −0.006 (4) | −0.002 (4) |
| Pt1—O1 | 1.984 (5) | C44—H44B | 0.9700 |
| Pt1—O2 | 2.086 (7) | C44—C45 | 1.502 (12) |
| Pt1—N1 | 1.979 (6) | C45—H45A | 0.9700 |
| Pt1—C11 | 1.952 (7) | C45—H45B | 0.9700 |
| O1—C41 | 1.301 (8) | C45—C46 | 1.504 (11) |
| O2—C43 | 1.267 (13) | C46—H46A | 0.9700 |
| O3—C2 | 1.346 (8) | C46—H46B | 0.9700 |
| O3—C12 | 1.444 (8) | C46—C47 | 1.497 (12) |
| O4—C15 | 1.435 (8) | C47—H47A | 0.9700 |
| O4—C16 | 1.356 (9) | C47—H47B | 0.9700 |
| O5—C9 | 1.346 (9) | C47—C48 | 1.491 (12) |
| O5—C29 | 1.428 (9) | C48—H48A | 0.9700 |
| N1—C1 | 1.377 (8) | C48—H48B | 0.9700 |
| N1—C5 | 1.351 (9) | C48—C49 | 1.475 (16) |
| N2—C28 | 1.127 (15) | C49—H49A | 0.9600 |
| C1—C2 | 1.416 (9) | C49—H49B | 0.9600 |
| C1—C6 | 1.488 (10) | C49—H49C | 0.9600 |
| C2—C3 | 1.391 (10) | C50—H50A | 0.9700 |
| C3—H3 | 0.9300 | C50—H50B | 0.9700 |
| C3—C4 | 1.371 (11) | C50—C51 | 1.540 (16) |
| C4—H4 | 0.9300 | C62—H62A | 0.9700 |
| C4—C5 | 1.343 (10) | C62—H62B | 0.9700 |
| C5—H5 | 0.9300 | C62—C61 | 1.519 (17) |
| C6—C7 | 1.396 (9) | C62—C63 | 1.527 (18) |
| C6—C11 | 1.382 (9) | C60—H60A | 0.9700 |
| C7—H7 | 0.9300 | C60—H60B | 0.9700 |
| C7—C8 | 1.375 (10) | C60—C61 | 1.496 (17) |
| C8—H8 | 0.9300 | C60—C59 | 1.498 (16) |
| C8—C9 | 1.397 (10) | C61—H61A | 0.9700 |
| C9—C10 | 1.377 (9) | C61—H61B | 0.9700 |
| C10—H10 | 0.9300 | C64—H64A | 0.9600 |
| C10—C11 | 1.424 (10) | C64—H64B | 0.9600 |
| C12—H12A | 0.9700 | C64—H64C | 0.9600 |
| C12—H12B | 0.9700 | C64—C63 | 1.535 (17) |
| C12—C13 | 1.518 (10) | C63—H63A | 0.9700 |
| C13—H13A | 0.9700 | C63—H63B | 0.9700 |
| C13—H13B | 0.9700 | C58—H58A | 0.9700 |
| C13—C14 | 1.520 (10) | C58—H58B | 0.9700 |
| C14—H14A | 0.9700 | C58—C59 | 1.56 (3) |
| C14—H14B | 0.9700 | C58—C57 | 1.560 (17) |
| C14—C15 | 1.502 (11) | C59—H59A | 0.9700 |
| C15—H15A | 0.9700 | C59—H59B | 0.9700 |
| C15—H15B | 0.9700 | C56—H56A | 0.9700 |
| C16—C17 | 1.378 (11) | C56—H56B | 0.9700 |
| C16—C21 | 1.411 (10) | C56—C57 | 1.527 (16) |
| C17—H17 | 0.9300 | C56—C55 | 1.627 (15) |
| C17—C18 | 1.384 (11) | C57—H57A | 0.9700 |
| C18—H18 | 0.9300 | C57—H57B | 0.9700 |
| C18—C19 | 1.374 (10) | C51—H51A | 0.9700 |
| C19—C20 | 1.398 (11) | C51—H51B | 0.9700 |
| C19—C22 | 1.465 (11) | C51—C52 | 1.582 (15) |
| C20—H20 | 0.9300 | C52—H52A | 0.9700 |
| C20—C21 | 1.363 (11) | C52—H52B | 0.9700 |
| C21—H21 | 0.9300 | C52—C53 | 1.528 (15) |
| C22—C23 | 1.402 (13) | C54—H54A | 0.9700 |
| C22—C27 | 1.396 (11) | C54—H54B | 0.9700 |
| C23—H23 | 0.9300 | C54—C53 | 1.582 (15) |
| C23—C24 | 1.362 (14) | C54—C55 | 1.500 (15) |
| C24—H24 | 0.9300 | C53—H53A | 0.9700 |
| C24—C25 | 1.391 (15) | C53—H53B | 0.9700 |
| C25—C26 | 1.368 (14) | C55—H55A | 0.9700 |
| C25—C28 | 1.409 (16) | C55—H55B | 0.9700 |
| C26—H26 | 0.9300 | C50A—H50C | 0.9700 |
| C26—C27 | 1.371 (13) | C50A—H50D | 0.9700 |
| C27—H27 | 0.9300 | C50A—C51A | 1.502 (18) |
| C29—H29A | 0.9700 | C51A—H51C | 0.9700 |
| C29—H29B | 0.9700 | C51A—H51D | 0.9700 |
| C29—C30 | 1.537 (12) | C51A—C52A | 1.590 (17) |
| C30—H30A | 0.9700 | C52A—H52C | 0.9700 |
| C30—H30B | 0.9700 | C52A—H52D | 0.9700 |
| C30—C31 | 1.441 (12) | C52A—C53A | 1.636 (17) |
| C31—H31A | 0.9700 | C53A—H53C | 0.9700 |
| C31—H31B | 0.9700 | C53A—H53D | 0.9700 |
| C31—C32 | 1.582 (14) | C53A—C54A | 1.584 (17) |
| C32—H32A | 0.9700 | C54A—H54C | 0.9700 |
| C32—H32B | 0.9700 | C54A—H54D | 0.9700 |
| C32—C33 | 1.450 (14) | C54A—C55A | 1.537 (17) |
| C33—H33A | 0.9700 | C55A—H55C | 0.9700 |
| C33—H33B | 0.9700 | C55A—H55D | 0.9700 |
| C33—C34 | 1.507 (13) | C55A—C56A | 1.584 (18) |
| C34—H34A | 0.9700 | C56A—H56C | 0.9700 |
| C34—H34B | 0.9700 | C56A—H56D | 0.9700 |
| C34—C35 | 1.473 (14) | C56A—C57A | 1.525 (18) |
| C35—H35A | 0.9700 | C57A—H57C | 0.9700 |
| C35—H35B | 0.9700 | C57A—H57D | 0.9700 |
| C35—C36 | 1.454 (13) | C57A—C58A | 1.562 (19) |
| C36—H36A | 0.9700 | C58A—H58C | 0.9700 |
| C36—H36B | 0.9700 | C58A—H58D | 0.9700 |
| C36—C37 | 1.482 (13) | C58A—C59A | 1.54 (2) |
| C37—H37A | 0.9700 | C59A—H59C | 0.9700 |
| C37—H37B | 0.9700 | C59A—H59D | 0.9700 |
| C37—C38 | 1.472 (14) | C59A—C60A | 1.525 (19) |
| C38—H38A | 0.9700 | C60A—H60C | 0.9700 |
| C38—H38B | 0.9700 | C60A—H60D | 0.9700 |
| C38—C39 | 1.478 (14) | C60A—C61A | 1.517 (19) |
| C39—H39A | 0.9700 | C61A—H61C | 0.9700 |
| C39—H39B | 0.9700 | C61A—H61D | 0.9700 |
| C39—C40 | 1.470 (15) | C61A—C62A | 1.534 (19) |
| C40—H40A | 0.9600 | C62A—H62C | 0.9700 |
| C40—H40B | 0.9600 | C62A—H62D | 0.9700 |
| C40—H40C | 0.9600 | C62A—C63A | 1.533 (19) |
| C41—C42 | 1.364 (12) | C63A—H63C | 0.9700 |
| C41—C44 | 1.529 (12) | C63A—H63D | 0.9700 |
| C42—H42 | 0.9300 | C63A—C64A | 1.539 (18) |
| C42—C43 | 1.380 (14) | C64A—H64D | 0.9600 |
| C43—C50 | 1.588 (15) | C64A—H64E | 0.9600 |
| C43—C50A | 1.495 (17) | C64A—H64F | 0.9600 |
| C44—H44A | 0.9700 | ||
| O1—Pt1—O2 | 91.1 (3) | H45A—C45—H45B | 107.8 |
| N1—Pt1—O1 | 174.2 (2) | C46—C45—H45A | 109.0 |
| N1—Pt1—O2 | 94.6 (3) | C46—C45—H45B | 109.0 |
| C11—Pt1—O1 | 92.7 (2) | C45—C46—H46A | 108.9 |
| C11—Pt1—O2 | 176.1 (3) | C45—C46—H46B | 108.9 |
| C11—Pt1—N1 | 81.6 (3) | H46A—C46—H46B | 107.7 |
| C41—O1—Pt1 | 124.8 (6) | C47—C46—C45 | 113.4 (7) |
| C43—O2—Pt1 | 124.7 (8) | C47—C46—H46A | 108.9 |
| C2—O3—C12 | 119.1 (6) | C47—C46—H46B | 108.9 |
| C16—O4—C15 | 116.6 (6) | C46—C47—H47A | 108.3 |
| C9—O5—C29 | 118.5 (6) | C46—C47—H47B | 108.3 |
| C1—N1—Pt1 | 115.5 (5) | H47A—C47—H47B | 107.4 |
| C5—N1—Pt1 | 125.2 (5) | C48—C47—C46 | 116.0 (9) |
| C5—N1—C1 | 119.3 (6) | C48—C47—H47A | 108.3 |
| N1—C1—C2 | 118.8 (6) | C48—C47—H47B | 108.3 |
| N1—C1—C6 | 113.5 (6) | C47—C48—H48A | 108.3 |
| C2—C1—C6 | 127.7 (6) | C47—C48—H48B | 108.3 |
| O3—C2—C1 | 116.3 (6) | H48A—C48—H48B | 107.4 |
| O3—C2—C3 | 123.9 (7) | C49—C48—C47 | 116.0 (11) |
| C3—C2—C1 | 119.8 (7) | C49—C48—H48A | 108.3 |
| C2—C3—H3 | 120.5 | C49—C48—H48B | 108.3 |
| C4—C3—C2 | 118.9 (8) | C48—C49—H49A | 109.5 |
| C4—C3—H3 | 120.5 | C48—C49—H49B | 109.5 |
| C3—C4—H4 | 119.9 | C48—C49—H49C | 109.5 |
| C5—C4—C3 | 120.2 (8) | H49A—C49—H49B | 109.5 |
| C5—C4—H4 | 119.9 | H49A—C49—H49C | 109.5 |
| N1—C5—H5 | 118.5 | H49B—C49—H49C | 109.5 |
| C4—C5—N1 | 123.0 (7) | C43—C50—H50A | 110.3 |
| C4—C5—H5 | 118.5 | C43—C50—H50B | 110.3 |
| C7—C6—C1 | 124.7 (6) | H50A—C50—H50B | 108.6 |
| C11—C6—C1 | 112.7 (6) | C51—C50—C43 | 107.0 (12) |
| C11—C6—C7 | 122.6 (7) | C51—C50—H50A | 110.3 |
| C6—C7—H7 | 121.1 | C51—C50—H50B | 110.3 |
| C8—C7—C6 | 117.8 (6) | H62A—C62—H62B | 107.7 |
| C8—C7—H7 | 121.1 | C61—C62—H62A | 108.9 |
| C7—C8—H8 | 119.1 | C61—C62—H62B | 108.9 |
| C7—C8—C9 | 121.8 (7) | C61—C62—C63 | 113 (2) |
| C9—C8—H8 | 119.1 | C63—C62—H62A | 108.9 |
| O5—C9—C8 | 115.9 (7) | C63—C62—H62B | 108.9 |
| O5—C9—C10 | 124.4 (7) | H60A—C60—H60B | 106.0 |
| C10—C9—C8 | 119.7 (7) | C61—C60—H60A | 105.4 |
| C9—C10—H10 | 119.9 | C61—C60—H60B | 105.4 |
| C9—C10—C11 | 120.1 (6) | C61—C60—C59 | 128 (2) |
| C11—C10—H10 | 119.9 | C59—C60—H60A | 105.4 |
| C6—C11—Pt1 | 116.6 (6) | C59—C60—H60B | 105.4 |
| C6—C11—C10 | 118.0 (7) | C62—C61—H61A | 107.3 |
| C10—C11—Pt1 | 125.4 (5) | C62—C61—H61B | 107.3 |
| O3—C12—H12A | 110.7 | C60—C61—C62 | 120 (2) |
| O3—C12—H12B | 110.7 | C60—C61—H61A | 107.3 |
| O3—C12—C13 | 105.2 (6) | C60—C61—H61B | 107.3 |
| H12A—C12—H12B | 108.8 | H61A—C61—H61B | 106.9 |
| C13—C12—H12A | 110.7 | C62—C63—C64 | 103.5 (18) |
| C13—C12—H12B | 110.7 | C62—C63—H63A | 111.1 |
| C12—C13—H13A | 109.0 | C62—C63—H63B | 111.1 |
| C12—C13—H13B | 109.0 | C64—C63—H63A | 111.1 |
| C12—C13—C14 | 112.7 (7) | C64—C63—H63B | 111.1 |
| H13A—C13—H13B | 107.8 | H63A—C63—H63B | 109.0 |
| C14—C13—H13A | 109.0 | H58A—C58—H58B | 108.9 |
| C14—C13—H13B | 109.0 | C59—C58—H58A | 110.9 |
| C13—C14—H14A | 108.9 | C59—C58—H58B | 110.9 |
| C13—C14—H14B | 108.9 | C59—C58—C57 | 104.3 (17) |
| H14A—C14—H14B | 107.8 | C57—C58—H58A | 110.9 |
| C15—C14—C13 | 113.2 (7) | C57—C58—H58B | 110.9 |
| C15—C14—H14A | 108.9 | C60—C59—C58 | 115.8 (18) |
| C15—C14—H14B | 108.9 | C60—C59—H59A | 108.3 |
| O4—C15—C14 | 108.5 (7) | C60—C59—H59B | 108.3 |
| O4—C15—H15A | 110.0 | C58—C59—H59A | 108.3 |
| O4—C15—H15B | 110.0 | C58—C59—H59B | 108.3 |
| C14—C15—H15A | 110.0 | H59A—C59—H59B | 107.4 |
| C14—C15—H15B | 110.0 | H56A—C56—H56B | 108.3 |
| H15A—C15—H15B | 108.4 | C57—C56—H56A | 109.9 |
| O4—C16—C17 | 124.7 (7) | C57—C56—H56B | 109.9 |
| O4—C16—C21 | 115.8 (8) | C57—C56—C55 | 108.8 (13) |
| C17—C16—C21 | 119.5 (8) | C55—C56—H56A | 109.9 |
| C16—C17—H17 | 120.3 | C55—C56—H56B | 109.9 |
| C16—C17—C18 | 119.4 (8) | C58—C57—H57A | 110.3 |
| C18—C17—H17 | 120.3 | C58—C57—H57B | 110.3 |
| C17—C18—H18 | 118.7 | C56—C57—C58 | 107.3 (15) |
| C19—C18—C17 | 122.7 (8) | C56—C57—H57A | 110.3 |
| C19—C18—H18 | 118.7 | C56—C57—H57B | 110.3 |
| C18—C19—C20 | 116.5 (8) | H57A—C57—H57B | 108.5 |
| C18—C19—C22 | 121.2 (8) | C50—C51—H51A | 108.5 |
| C20—C19—C22 | 122.2 (7) | C50—C51—H51B | 108.5 |
| C19—C20—H20 | 118.5 | C50—C51—C52 | 114.9 (13) |
| C21—C20—C19 | 122.9 (7) | H51A—C51—H51B | 107.5 |
| C21—C20—H20 | 118.5 | C52—C51—H51A | 108.5 |
| C16—C21—H21 | 120.6 | C52—C51—H51B | 108.5 |
| C20—C21—C16 | 118.8 (8) | C51—C52—H52A | 111.1 |
| C20—C21—H21 | 120.6 | C51—C52—H52B | 111.1 |
| C23—C22—C19 | 121.3 (8) | H52A—C52—H52B | 109.1 |
| C27—C22—C19 | 122.8 (8) | C53—C52—C51 | 103.3 (13) |
| C27—C22—C23 | 116.0 (9) | C53—C52—H52A | 111.1 |
| C22—C23—H23 | 119.0 | C53—C52—H52B | 111.1 |
| C24—C23—C22 | 122.1 (10) | H54A—C54—H54B | 107.4 |
| C24—C23—H23 | 119.0 | C53—C54—H54A | 108.3 |
| C23—C24—H24 | 120.3 | C53—C54—H54B | 108.3 |
| C23—C24—C25 | 119.5 (11) | C55—C54—H54A | 108.3 |
| C25—C24—H24 | 120.3 | C55—C54—H54B | 108.3 |
| C24—C25—C28 | 116.9 (13) | C55—C54—C53 | 115.8 (14) |
| C26—C25—C24 | 120.6 (11) | C52—C53—C54 | 108.8 (13) |
| C26—C25—C28 | 122.5 (12) | C52—C53—H53A | 109.9 |
| C25—C26—H26 | 120.5 | C52—C53—H53B | 109.9 |
| C25—C26—C27 | 118.9 (9) | C54—C53—H53A | 109.9 |
| C27—C26—H26 | 120.5 | C54—C53—H53B | 109.9 |
| C22—C27—H27 | 118.5 | H53A—C53—H53B | 108.3 |
| C26—C27—C22 | 122.9 (9) | C56—C55—H55A | 108.5 |
| C26—C27—H27 | 118.5 | C56—C55—H55B | 108.5 |
| N2—C28—C25 | 177 (2) | C54—C55—C56 | 114.9 (13) |
| O5—C29—H29A | 110.3 | C54—C55—H55A | 108.5 |
| O5—C29—H29B | 110.3 | C54—C55—H55B | 108.5 |
| O5—C29—C30 | 107.3 (7) | H55A—C55—H55B | 107.5 |
| H29A—C29—H29B | 108.5 | C43—C50A—H50C | 110.2 |
| C30—C29—H29A | 110.3 | C43—C50A—H50D | 110.2 |
| C30—C29—H29B | 110.3 | C43—C50A—C51A | 107.4 (17) |
| C29—C30—H30A | 109.3 | H50C—C50A—H50D | 108.5 |
| C29—C30—H30B | 109.3 | C51A—C50A—H50C | 110.2 |
| H30A—C30—H30B | 107.9 | C51A—C50A—H50D | 110.2 |
| C31—C30—C29 | 111.7 (9) | C50A—C51A—H51C | 111.0 |
| C31—C30—H30A | 109.3 | C50A—C51A—H51D | 111.0 |
| C31—C30—H30B | 109.3 | C50A—C51A—C52A | 103.7 (18) |
| C30—C31—H31A | 109.5 | H51C—C51A—H51D | 109.0 |
| C30—C31—H31B | 109.5 | C52A—C51A—H51C | 111.0 |
| C30—C31—C32 | 110.5 (10) | C52A—C51A—H51D | 111.0 |
| H31A—C31—H31B | 108.1 | C51A—C52A—H52C | 107.4 |
| C32—C31—H31A | 109.5 | C51A—C52A—H52D | 107.4 |
| C32—C31—H31B | 109.5 | C51A—C52A—C53A | 119.8 (19) |
| C31—C32—H32A | 108.9 | H52C—C52A—H52D | 106.9 |
| C31—C32—H32B | 108.9 | C53A—C52A—H52C | 107.4 |
| H32A—C32—H32B | 107.7 | C53A—C52A—H52D | 107.4 |
| C33—C32—C31 | 113.6 (10) | C52A—C53A—H53C | 104.8 |
| C33—C32—H32A | 108.9 | C52A—C53A—H53D | 104.8 |
| C33—C32—H32B | 108.9 | H53C—C53A—H53D | 105.8 |
| C32—C33—H33A | 107.9 | C54A—C53A—C52A | 129.8 (19) |
| C32—C33—H33B | 107.9 | C54A—C53A—H53C | 104.8 |
| C32—C33—C34 | 117.8 (11) | C54A—C53A—H53D | 104.8 |
| H33A—C33—H33B | 107.2 | C53A—C54A—H54C | 107.8 |
| C34—C33—H33A | 107.9 | C53A—C54A—H54D | 107.8 |
| C34—C33—H33B | 107.9 | H54C—C54A—H54D | 107.1 |
| C33—C34—H34A | 108.1 | C55A—C54A—C53A | 118 (2) |
| C33—C34—H34B | 108.1 | C55A—C54A—H54C | 107.8 |
| H34A—C34—H34B | 107.3 | C55A—C54A—H54D | 107.8 |
| C35—C34—C33 | 117.0 (10) | C54A—C55A—H55C | 108.0 |
| C35—C34—H34A | 108.1 | C54A—C55A—H55D | 108.0 |
| C35—C34—H34B | 108.1 | C54A—C55A—C56A | 117 (2) |
| C34—C35—H35A | 107.5 | H55C—C55A—H55D | 107.2 |
| C34—C35—H35B | 107.5 | C56A—C55A—H55C | 108.0 |
| H35A—C35—H35B | 107.0 | C56A—C55A—H55D | 108.0 |
| C36—C35—C34 | 119.4 (10) | C55A—C56A—H56C | 106.3 |
| C36—C35—H35A | 107.5 | C55A—C56A—H56D | 106.3 |
| C36—C35—H35B | 107.5 | H56C—C56A—H56D | 106.4 |
| C35—C36—H36A | 107.5 | C57A—C56A—C55A | 124 (2) |
| C35—C36—H36B | 107.5 | C57A—C56A—H56C | 106.3 |
| C35—C36—C37 | 119.4 (10) | C57A—C56A—H56D | 106.3 |
| H36A—C36—H36B | 107.0 | C56A—C57A—H57C | 104.4 |
| C37—C36—H36A | 107.5 | C56A—C57A—H57D | 104.4 |
| C37—C36—H36B | 107.5 | C56A—C57A—C58A | 131 (2) |
| C36—C37—H37A | 108.1 | H57C—C57A—H57D | 105.6 |
| C36—C37—H37B | 108.1 | C58A—C57A—H57C | 104.4 |
| H37A—C37—H37B | 107.3 | C58A—C57A—H57D | 104.4 |
| C38—C37—C36 | 116.8 (10) | C57A—C58A—H58C | 108.0 |
| C38—C37—H37A | 108.1 | C57A—C58A—H58D | 108.0 |
| C38—C37—H37B | 108.1 | H58C—C58A—H58D | 107.3 |
| C37—C38—H38A | 108.2 | C59A—C58A—C57A | 117 (3) |
| C37—C38—H38B | 108.2 | C59A—C58A—H58C | 108.0 |
| C37—C38—C39 | 116.2 (11) | C59A—C58A—H58D | 108.0 |
| H38A—C38—H38B | 107.4 | C58A—C59A—H59C | 108.8 |
| C39—C38—H38A | 108.2 | C58A—C59A—H59D | 108.8 |
| C39—C38—H38B | 108.2 | H59C—C59A—H59D | 107.7 |
| C38—C39—H39A | 108.2 | C60A—C59A—C58A | 114 (3) |
| C38—C39—H39B | 108.2 | C60A—C59A—H59C | 108.8 |
| H39A—C39—H39B | 107.4 | C60A—C59A—H59D | 108.8 |
| C40—C39—C38 | 116.2 (12) | C59A—C60A—H60C | 110.6 |
| C40—C39—H39A | 108.2 | C59A—C60A—H60D | 110.6 |
| C40—C39—H39B | 108.2 | H60C—C60A—H60D | 108.7 |
| C39—C40—H40A | 109.5 | C61A—C60A—C59A | 106 (3) |
| C39—C40—H40B | 109.5 | C61A—C60A—H60C | 110.6 |
| C39—C40—H40C | 109.5 | C61A—C60A—H60D | 110.6 |
| H40A—C40—H40B | 109.5 | C60A—C61A—H61C | 110.3 |
| H40A—C40—H40C | 109.5 | C60A—C61A—H61D | 110.3 |
| H40B—C40—H40C | 109.5 | C60A—C61A—C62A | 107 (3) |
| O1—C41—C42 | 126.2 (9) | H61C—C61A—H61D | 108.6 |
| O1—C41—C44 | 111.9 (8) | C62A—C61A—H61C | 110.3 |
| C42—C41—C44 | 121.9 (8) | C62A—C61A—H61D | 110.3 |
| C41—C42—H42 | 115.5 | C61A—C62A—H62C | 109.7 |
| C41—C42—C43 | 128.9 (9) | C61A—C62A—H62D | 109.7 |
| C43—C42—H42 | 115.5 | H62C—C62A—H62D | 108.2 |
| O2—C43—C42 | 124.2 (10) | C63A—C62A—C61A | 110 (3) |
| O2—C43—C50 | 108.5 (13) | C63A—C62A—H62C | 109.7 |
| O2—C43—C50A | 127.2 (15) | C63A—C62A—H62D | 109.7 |
| C42—C43—C50 | 127.3 (13) | C62A—C63A—H63C | 105.4 |
| C42—C43—C50A | 108.6 (14) | C62A—C63A—H63D | 105.4 |
| C50A—C43—C50 | 18.9 (15) | C62A—C63A—C64A | 128 (3) |
| C41—C44—H44A | 108.1 | H63C—C63A—H63D | 106.0 |
| C41—C44—H44B | 108.1 | C64A—C63A—H63C | 105.4 |
| H44A—C44—H44B | 107.3 | C64A—C63A—H63D | 105.4 |
| C45—C44—C41 | 116.8 (7) | C63A—C64A—H64D | 109.5 |
| C45—C44—H44A | 108.1 | C63A—C64A—H64E | 109.5 |
| C45—C44—H44B | 108.1 | C63A—C64A—H64F | 109.5 |
| C44—C45—H45A | 109.0 | H64D—C64A—H64E | 109.5 |
| C44—C45—H45B | 109.0 | H64D—C64A—H64F | 109.5 |
| C44—C45—C46 | 113.1 (7) | H64E—C64A—H64F | 109.5 |
| Pt1—O1—C41—C42 | 2.6 (10) | C17—C18—C19—C20 | −3.4 (14) |
| Pt1—O1—C41—C44 | −177.1 (4) | C17—C18—C19—C22 | 175.5 (9) |
| Pt1—O2—C43—C42 | −2.3 (15) | C18—C19—C20—C21 | 2.0 (13) |
| Pt1—O2—C43—C50 | 176.2 (8) | C18—C19—C22—C23 | 35.3 (14) |
| Pt1—O2—C43—C50A | 178.8 (15) | C18—C19—C22—C27 | −144.8 (9) |
| Pt1—N1—C1—C2 | −179.1 (4) | C19—C20—C21—C16 | −0.5 (13) |
| Pt1—N1—C1—C6 | −0.5 (6) | C19—C22—C23—C24 | −177.4 (11) |
| Pt1—N1—C5—C4 | 177.1 (5) | C19—C22—C27—C26 | 178.6 (8) |
| O1—Pt1—O2—C43 | 4.3 (8) | C20—C19—C22—C23 | −145.8 (10) |
| O1—Pt1—N1—C1 | 12.4 (19) | C20—C19—C22—C27 | 34.1 (13) |
| O1—Pt1—N1—C5 | −164.8 (15) | C21—C16—C17—C18 | −1.6 (14) |
| O1—Pt1—C11—C6 | 177.5 (4) | C22—C19—C20—C21 | −176.9 (8) |
| O1—Pt1—C11—C10 | −0.4 (5) | C22—C23—C24—C25 | −2 (2) |
| O1—C41—C42—C43 | 1.3 (14) | C23—C22—C27—C26 | −1.6 (14) |
| O1—C41—C44—C45 | −1.5 (9) | C23—C24—C25—C26 | −1 (2) |
| O2—Pt1—O1—C41 | −4.3 (5) | C23—C24—C25—C28 | −178.9 (14) |
| O2—Pt1—N1—C1 | −176.7 (4) | C24—C25—C26—C27 | 2.2 (19) |
| O2—Pt1—N1—C5 | 6.1 (5) | C24—C25—C28—N2 | −134 (31) |
| O2—Pt1—C11—C6 | 14 (3) | C25—C26—C27—C22 | −0.8 (15) |
| O2—Pt1—C11—C10 | −164 (3) | C26—C25—C28—N2 | 48 (32) |
| O2—C43—C50—C51 | 108.5 (16) | C27—C22—C23—C24 | 2.7 (17) |
| O2—C43—C50A—C51A | 36 (3) | C28—C25—C26—C27 | 180.0 (13) |
| O3—C2—C3—C4 | 177.9 (6) | C29—O5—C9—C8 | 178.2 (7) |
| O3—C12—C13—C14 | −177.8 (6) | C29—O5—C9—C10 | −3.4 (11) |
| O4—C16—C17—C18 | −178.4 (8) | C29—C30—C31—C32 | 169.2 (9) |
| O4—C16—C21—C20 | 177.3 (7) | C30—C31—C32—C33 | −171.2 (11) |
| O5—C9—C10—C11 | 179.9 (6) | C31—C32—C33—C34 | 176.4 (11) |
| O5—C29—C30—C31 | −65.6 (11) | C32—C33—C34—C35 | −176.7 (12) |
| N1—Pt1—O1—C41 | 166.6 (15) | C33—C34—C35—C36 | 177.3 (12) |
| N1—Pt1—O2—C43 | −174.8 (8) | C34—C35—C36—C37 | 179.1 (12) |
| N1—Pt1—C11—C6 | −3.5 (4) | C35—C36—C37—C38 | 179.0 (12) |
| N1—Pt1—C11—C10 | 178.5 (5) | C36—C37—C38—C39 | −178.6 (12) |
| N1—C1—C2—O3 | −176.7 (5) | C37—C38—C39—C40 | −178.9 (13) |
| N1—C1—C2—C3 | 2.0 (9) | C41—C42—C43—O2 | −1.4 (17) |
| N1—C1—C6—C7 | −179.9 (6) | C41—C42—C43—C50 | −179.6 (11) |
| N1—C1—C6—C11 | −2.3 (7) | C41—C42—C43—C50A | 177.7 (14) |
| C1—N1—C5—C4 | 0.0 (10) | C41—C44—C45—C46 | −179.1 (6) |
| C1—C2—C3—C4 | −0.6 (10) | C42—C41—C44—C45 | 178.9 (7) |
| C1—C6—C7—C8 | 177.0 (6) | C42—C43—C50—C51 | −73 (2) |
| C1—C6—C11—Pt1 | 4.1 (7) | C42—C43—C50A—C51A | −143 (2) |
| C1—C6—C11—C10 | −177.8 (5) | C43—C50—C51—C52 | −172.3 (14) |
| C2—O3—C12—C13 | 179.3 (6) | C43—C50A—C51A—C52A | −174.9 (18) |
| C2—C1—C6—C7 | −1.5 (10) | C44—C41—C42—C43 | −179.1 (9) |
| C2—C1—C6—C11 | 176.1 (6) | C44—C45—C46—C47 | −176.9 (6) |
| C2—C3—C4—C5 | −1.0 (11) | C45—C46—C47—C48 | 179.8 (7) |
| C3—C4—C5—N1 | 1.4 (11) | C46—C47—C48—C49 | 179.4 (10) |
| C5—N1—C1—C2 | −1.7 (8) | C50—C43—C50A—C51A | 44 (3) |
| C5—N1—C1—C6 | 176.9 (5) | C50—C51—C52—C53 | −65 (2) |
| C6—C1—C2—O3 | 5.0 (9) | C61—C62—C63—C64 | 176 (2) |
| C6—C1—C2—C3 | −176.3 (6) | C61—C60—C59—C58 | −141 (3) |
| C6—C7—C8—C9 | −0.1 (10) | C63—C62—C61—C60 | −175 (3) |
| C7—C6—C11—Pt1 | −178.2 (5) | C59—C60—C61—C62 | −171 (3) |
| C7—C6—C11—C10 | −0.1 (9) | C59—C58—C57—C56 | 172.0 (17) |
| C7—C8—C9—O5 | 179.7 (7) | C57—C58—C59—C60 | −170 (2) |
| C7—C8—C9—C10 | 1.3 (11) | C57—C56—C55—C54 | −176.0 (16) |
| C8—C9—C10—C11 | −1.8 (10) | C51—C52—C53—C54 | −166.8 (13) |
| C9—O5—C29—C30 | −171.8 (7) | C53—C54—C55—C56 | −153.2 (16) |
| C9—C10—C11—Pt1 | 179.2 (5) | C55—C56—C57—C58 | 142.3 (19) |
| C9—C10—C11—C6 | 1.2 (9) | C55—C54—C53—C52 | 166.8 (16) |
| C11—Pt1—O1—C41 | 176.8 (5) | C50A—C43—C50—C51 | −65 (4) |
| C11—Pt1—O2—C43 | 168 (3) | C50A—C51A—C52A—C53A | −79 (3) |
| C11—Pt1—N1—C1 | 2.1 (4) | C51A—C52A—C53A—C54A | −162 (2) |
| C11—Pt1—N1—C5 | −175.1 (5) | C52A—C53A—C54A—C55A | −103 (3) |
| C11—C6—C7—C8 | −0.4 (10) | C53A—C54A—C55A—C56A | 132 (2) |
| C12—O3—C2—C1 | −177.1 (5) | C54A—C55A—C56A—C57A | 172 (2) |
| C12—O3—C2—C3 | 4.3 (9) | C55A—C56A—C57A—C58A | −99 (4) |
| C12—C13—C14—C15 | 169.2 (7) | C56A—C57A—C58A—C59A | −149 (3) |
| C13—C14—C15—O4 | 73.5 (8) | C57A—C58A—C59A—C60A | 161 (3) |
| C15—O4—C16—C17 | 12.0 (12) | C58A—C59A—C60A—C61A | 155 (4) |
| C15—O4—C16—C21 | −164.9 (7) | C59A—C60A—C61A—C62A | 152 (4) |
| C16—O4—C15—C14 | 175.3 (7) | C60A—C61A—C62A—C63A | 176 (4) |
| C16—C17—C18—C19 | 3.3 (15) | C61A—C62A—C63A—C64A | 173 (3) |
| C17—C16—C21—C20 | 0.2 (12) |