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Acta Crystallographica Section E: Structure Reports Online logoLink to Acta Crystallographica Section E: Structure Reports Online
. 2010 May 22;66(Pt 6):m681. doi: 10.1107/S1600536810017782

{4′-[4-(4,4′-Bipyridin-1-ylmeth­yl)phen­yl]-2,2′:6′,2′′-terpyridine}chloridoplatinum(II) bis­(perchlorate) acetonitrile disolvate sesquihydrate

Guiju Zhang a, Quan Li a, Wenfu Fu a,*, Daqi Wang b
PMCID: PMC2979511  PMID: 21579321

Abstract

The asymmetric unit of the title compound, [PtCl(C32H24N5)](ClO4)2·2CH3CN·1.5H2O, comprises two unique PtII complex cations, four perchlorate anions, four acetonitrile solvent mol­ecules and three water mol­ecules. The Pt atom is four-coordinated by a tridentate chelating 2,2′:6′,2′′-terpyridine ligand and a chloride ion in a square-planar geometry with modest distortion imposed by the constraint of the terpyridyl ligand. The r.m.s. deviations from the plane comprising the four ligand donor atoms and the Pt atom are 0.0381 and 0.0472 Å in the two complex cations.

Related literature

For the synthesis of the terpyridyl ligand, see: Kronke (1976); Collin et al. (1991). For the synthesis of PtII–terpyridyl complexes, see: Jarosz et al. (2008). For the structures of similar complexes, see: Chakraborty et al. (2005); Sakai et al. (2003).graphic file with name e-66-0m681-scheme1.jpg

Experimental

Crystal data

  • [PtCl(C32H24N5)](ClO4)2·2C2H3N·1.5H2O

  • M r = 1017.14

  • Monoclinic, Inline graphic

  • a = 13.3990 (15) Å

  • b = 14.5018 (15) Å

  • c = 41.279 (4) Å

  • β = 90.390 (1)°

  • V = 8020.8 (14) Å3

  • Z = 8

  • Mo Kα radiation

  • μ = 3.76 mm−1

  • T = 298 K

  • 0.20 × 0.19 × 0.18 mm

Data collection

  • Bruker SMART diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T min = 0.520, T max = 0.551

  • 41405 measured reflections

  • 14131 independent reflections

  • 5677 reflections with I > 2σ(I)

  • R int = 0.143

Refinement

  • R[F 2 > 2σ(F 2)] = 0.114

  • wR(F 2) = 0.339

  • S = 1.03

  • 14131 reflections

  • 1022 parameters

  • H-atom parameters constrained

  • Δρmax = 3.13 e Å−3

  • Δρmin = −1.62 e Å−3

Data collection: SMART (Siemens, 1996); cell refinement: SAINT (Siemens, 1996); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997) and DIAMOND (Brandenburg, 1998); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Supplementary Material

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536810017782/sj2800sup1.cif

e-66-0m681-sup1.cif (47.6KB, cif)

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810017782/sj2800Isup2.hkl

e-66-0m681-Isup2.hkl (690.8KB, hkl)

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

Acknowledgments

This work was supported financially by the National Basic Research Program of China (973 Program 2007CB613304) and the Foundation of the Bureau of Inter­national Cooperation of the Chinese Academy of Science (GJHZ200817).

supplementary crystallographic information

Comment

The molecular structure of the title compound is shown in Fig. 1. The complex consists of a distorted square-planar geometry around the PtII center with three coordination sites occupied by the terpyridyl ligand and the fourth taken up by the chloride ion. The rms deviation from a plane comprising the four ligand donor atoms and the Pt atom is 0.0381. The Pt-N distance of the platinum to the central nitrogen atom (Pt1-N1, 1.99 (2) Å) of the terpyridine ligand, which is slightly longer than to the other two outer nitrogen atoms (Pt1-N2 1.95 (2) Å, Pt1-N3 1.98 (2) Å). All the Pt-N distances are in the range generally observed in typical platinum terpyridine complexes [Chakraborty et al. (2005), Sakai et al. (2003)]. The bond angles (N1-Pt1-N2 82.7 (9)°, N1-Pt1-N3 80.6 (10)°, N2-Pt1-N3 163.2 (9)°, N1-Pt1-Cl5 179.1 (7)°) deviate from the idealized values of 90° and 180° as a consequence of the geometric constraints imposed by the terpyridine ligand.

Experimental

The ligand 4'-p-tolyl-[2,2':6',2'']terpyridine was prepared by a literature method (Kronke, 1976), and bromination was carried out in the presence of N-bromosuccinimide and a small amount of benzoyl peroxide in CCl4. The title complex was prepared as previously reported (Jarosz et al., 2008). The bipyridinium appended terpyridine ligand (0.56 g, 1 mmol), synthesized according to a previously reported procedure (Collin et al., 1991), was mixed with Pt(DMSO)2Cl2 (0.47 g, 1.1 mmol) in 50 mL acetonitrile/chloroform (v/v, 2:1). The mixture was stirred at reflux for 30 h, and a saturated aqueous solution of sodium perchlorate was added after cooled to room temperature. The resulting orange precipitate was collected by filtration and washed with water and diethyl ether. Recrystallization by vapor diffusion of diethyl ether into a dichloromethane/acetonitrile (v/v, 1:1) mixture gave yellow crystals.

Refinement

The H atoms were placed in calculated positions [aromatic C-H = 0.93Å and Uiso(H) = 1.2Ueq(C)]. Those of the methyl groups were rotated to fit the electron densidy [ C-H = 0.96Å and Uiso(H) = 1.5Ueq(C)]. The H atoms were included in the refinements in the riding-model approximation. The water H atoms were located in a difference Fourier map and fixed in these positions with distance restraints of O-H = 0.85Å.

Figures

Fig. 1.

Fig. 1.

The asymmetric unit of the title compound with ellipsoids drawn at the 30% probability level.

Crystal data

[PtCl(C32H24N5)](ClO4)2·2C2H3N·1.5H2O F(000) = 4024
Mr = 1017.14 Dx = 1.685 Mg m3
Monoclinic, P21/n Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn Cell parameters from 3681 reflections
a = 13.3990 (15) Å θ = 3.0–26.3°
b = 14.5018 (15) Å µ = 3.76 mm1
c = 41.279 (4) Å T = 298 K
β = 90.390 (1)° Block, yellow
V = 8020.8 (14) Å3 0.20 × 0.19 × 0.18 mm
Z = 8

Data collection

Bruker SMART diffractometer 14131 independent reflections
Radiation source: fine-focus sealed tube 5677 reflections with I > 2σ(I)
graphite Rint = 0.143
φ and ω scans θmax = 25.0°, θmin = 1.5°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) h = −9→15
Tmin = 0.520, Tmax = 0.551 k = −17→17
41405 measured reflections l = −49→49

Refinement

Refinement on F2 Primary atom site location: structure-invariant direct methods
Least-squares matrix: full Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.114 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.339 H-atom parameters constrained
S = 1.03 w = 1/[σ2(Fo2) + (0.1592P)2] where P = (Fo2 + 2Fc2)/3
14131 reflections (Δ/σ)max = 0.001
1022 parameters Δρmax = 3.13 e Å3
0 restraints Δρmin = −1.62 e Å3

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > 2sigma(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2)

x y z Uiso*/Ueq
Pt1 1.00170 (8) 0.10758 (6) 1.01667 (2) 0.0650 (4)
Pt2 0.53663 (9) 0.11377 (6) 0.48389 (2) 0.0829 (4)
Cl1 0.0671 (10) 0.0539 (12) 0.5808 (4) 0.164 (5)
Cl2 0.5896 (12) 0.5208 (11) 0.7315 (5) 0.175 (5)
Cl3 0.4122 (12) −0.0009 (10) 0.7348 (4) 0.168 (5)
Cl4 0.4248 (7) 0.0004 (8) 0.0713 (3) 0.125 (3)
Cl5 1.0569 (4) 0.0586 (3) 1.06877 (12) 0.0551 (13)
Cl6 0.5889 (6) 0.0758 (4) 0.43079 (13) 0.086 (2)
N1 0.9535 (18) 0.1489 (12) 0.9734 (5) 0.067 (5)
N2 1.1315 (15) 0.1115 (12) 0.9954 (5) 0.074 (6)
N3 0.8571 (17) 0.1189 (13) 1.0260 (6) 0.079 (6)
N4 0.755 (2) 0.3066 (18) 0.7641 (6) 0.099 (7)
N5 0.688 (2) 0.0280 (17) 0.6237 (6) 0.107 (8)
N6 0.496 (2) 0.1483 (14) 0.5265 (6) 0.085 (7)
N7 0.670 (2) 0.1392 (14) 0.5035 (6) 0.090 (7)
N8 0.3955 (18) 0.0981 (13) 0.4785 (5) 0.081 (6)
N9 0.276 (2) 0.2922 (18) 0.7373 (6) 0.102 (8)
N10 0.210 (3) 0.0023 (18) 0.8747 (6) 0.112 (8)
N11 1.044 (3) 0.227 (3) 0.4477 (10) 0.171 (15)
N12 0.745 (5) 0.504 (4) 0.6440 (16) 0.27 (3)
N13 0.497 (3) 0.381 (3) 0.8142 (9) 0.154 (13)
N14 0.208 (3) 0.286 (3) 0.8722 (10) 0.162 (14)
O1 0.089 (3) 0.148 (3) 0.5762 (11) 0.27 (2)
O2 0.005 (4) 0.043 (5) 0.6071 (13) 0.47 (5)
O3 0.156 (3) 0.006 (4) 0.5856 (10) 0.35 (3)
O4 0.020 (5) 0.021 (5) 0.5527 (16) 0.38 (3)
O5 0.574 (5) 0.581 (5) 0.7056 (18) 0.39 (3)
O6 0.686 (5) 0.484 (4) 0.7293 (18) 0.48 (5)
O7 0.520 (5) 0.449 (6) 0.7302 (16) 0.50 (6)
O8 0.580 (7) 0.568 (7) 0.761 (2) 0.48 (5)
O9 0.465 (4) −0.066 (4) 0.7172 (13) 0.31 (2)
O10 0.313 (3) −0.027 (3) 0.7382 (11) 0.33 (3)
O11 0.421 (3) 0.087 (3) 0.7216 (10) 0.252 (18)
O12 0.457 (7) 0.011 (5) 0.765 (2) 0.65 (9)
O13 0.466 (2) −0.027 (3) 0.0417 (7) 0.214 (16)
O14 0.413 (4) 0.096 (3) 0.0707 (12) 0.32 (3)
O15 0.489 (3) −0.024 (3) 0.0965 (10) 0.239 (16)
O16 0.3319 (18) −0.041 (2) 0.0752 (9) 0.224 (15)
O17 0.021 (3) 0.345 (4) 0.6881 (10) 0.33 (3)
H17C 0.0247 0.3997 0.6950 0.400*
H17D 0.0128 0.3452 0.6677 0.400*
O18 0.497 (4) 0.216 (3) 0.1285 (13) 0.38 (3)
H18C 0.5250 0.2574 0.1173 0.450*
H18D 0.4697 0.1775 0.1156 0.450*
O19 0.917 (6) 0.590 (5) 0.6892 (18) 0.52 (5)
H19C 0.9489 0.5565 0.7027 0.624*
H19D 0.8730 0.5564 0.6798 0.624*
C1 1.0300 (19) 0.1675 (15) 0.9510 (6) 0.065 (6)
C2 0.995 (2) 0.1954 (15) 0.9202 (6) 0.074 (7)
H2 1.0409 0.2039 0.9035 0.088*
C3 0.893 (2) 0.2106 (16) 0.9142 (6) 0.073 (7)
C4 0.824 (2) 0.1924 (16) 0.9392 (7) 0.078 (7)
H4 0.7568 0.1989 0.9346 0.093*
C5 0.853 (2) 0.1650 (16) 0.9702 (7) 0.070 (7)
C6 1.133 (2) 0.1401 (15) 0.9633 (7) 0.071 (7)
C7 1.211 (2) 0.1420 (16) 0.9419 (7) 0.079 (7)
H7 1.2028 0.1576 0.9202 0.095*
C8 1.304 (2) 0.1183 (16) 0.9557 (7) 0.084 (8)
H8 1.3615 0.1193 0.9431 0.101*
C9 1.309 (2) 0.0935 (16) 0.9882 (7) 0.085 (8)
H9 1.3710 0.0782 0.9973 0.102*
C10 1.225 (2) 0.0911 (16) 1.0073 (7) 0.082 (8)
H10 1.2320 0.0752 1.0290 0.098*
C11 0.798 (2) 0.1477 (17) 0.9999 (7) 0.078 (7)
C12 0.695 (2) 0.1630 (16) 1.0016 (7) 0.079 (7)
H12 0.6595 0.1810 0.9832 0.095*
C13 0.646 (2) 0.1513 (17) 1.0309 (7) 0.083 (7)
H13 0.5782 0.1638 1.0325 0.100*
C14 0.699 (2) 0.1210 (16) 1.0576 (7) 0.081 (7)
H14 0.6678 0.1090 1.0771 0.097*
C15 0.802 (2) 0.1087 (16) 1.0543 (7) 0.082 (7)
H15 0.8372 0.0921 1.0729 0.099*
C16 0.857 (2) 0.2462 (18) 0.8811 (6) 0.084 (7)
C17 0.928 (2) 0.2789 (18) 0.8595 (7) 0.089 (8)
H17 0.9955 0.2748 0.8646 0.107*
C18 0.898 (2) 0.318 (2) 0.8302 (7) 0.100 (9)
H18 0.9451 0.3399 0.8158 0.120*
C19 0.797 (3) 0.324 (2) 0.8226 (7) 0.096 (8)
C20 0.726 (2) 0.291 (2) 0.8442 (8) 0.101 (9)
H20 0.6584 0.2954 0.8391 0.121*
C21 0.756 (2) 0.2523 (19) 0.8734 (7) 0.093 (8)
H21 0.7088 0.2303 0.8879 0.112*
C22 0.761 (2) 0.374 (2) 0.7931 (7) 0.101 (9)
H22A 0.8063 0.4245 0.7881 0.121*
H22B 0.6955 0.4006 0.7971 0.121*
C23 0.823 (2) 0.310 (2) 0.7389 (7) 0.104 (9)
H23 0.8770 0.3500 0.7392 0.125*
C24 0.806 (2) 0.249 (2) 0.7132 (7) 0.104 (9)
H24 0.8532 0.2475 0.6968 0.125*
C25 0.724 (3) 0.192 (2) 0.7104 (7) 0.100 (9)
C26 0.661 (2) 0.193 (2) 0.7368 (7) 0.103 (9)
H26 0.6086 0.1511 0.7369 0.124*
C27 0.672 (2) 0.251 (2) 0.7630 (7) 0.101 (9)
H27 0.6252 0.2521 0.7795 0.122*
C28 0.781 (3) 0.048 (2) 0.6364 (8) 0.108 (10)
H28 0.8375 0.0220 0.6271 0.129*
C29 0.790 (3) 0.106 (2) 0.6631 (8) 0.110 (10)
H29 0.8527 0.1270 0.6690 0.131*
C30 0.709 (3) 0.133 (2) 0.6809 (8) 0.103 (9)
C31 0.617 (3) 0.103 (2) 0.6700 (7) 0.101 (9)
H31 0.5609 0.1150 0.6822 0.121*
C32 0.606 (3) 0.054 (2) 0.6414 (8) 0.103 (9)
H32 0.5428 0.0395 0.6340 0.124*
C33 0.561 (3) 0.170 (2) 0.5499 (8) 0.093 (9)
C34 0.530 (3) 0.2014 (17) 0.5799 (7) 0.092 (9)
H34 0.5770 0.2237 0.5946 0.110*
C35 0.431 (3) 0.2003 (17) 0.5884 (7) 0.085 (8)
C36 0.364 (2) 0.1746 (17) 0.5633 (7) 0.089 (8)
H36 0.2960 0.1782 0.5673 0.107*
C37 0.395 (3) 0.1446 (17) 0.5334 (7) 0.085 (8)
C38 0.667 (3) 0.171 (2) 0.5354 (8) 0.098 (9)
C39 0.753 (3) 0.1968 (19) 0.5525 (8) 0.099 (9)
H39 0.7468 0.2157 0.5739 0.119*
C40 0.848 (3) 0.1950 (18) 0.5382 (8) 0.099 (9)
H40 0.9058 0.2091 0.5498 0.118*
C41 0.850 (3) 0.170 (2) 0.5055 (9) 0.104 (9)
H41 0.9094 0.1742 0.4942 0.125*
C42 0.764 (3) 0.1401 (19) 0.4894 (8) 0.099 (9)
H42 0.7696 0.1195 0.4682 0.119*
C43 0.334 (3) 0.1154 (17) 0.5051 (7) 0.085 (8)
C44 0.231 (3) 0.1084 (18) 0.5069 (7) 0.092 (9)
H44 0.1964 0.1257 0.5253 0.110*
C45 0.184 (2) 0.0736 (17) 0.4792 (7) 0.090 (8)
H45 0.1164 0.0582 0.4803 0.108*
C46 0.234 (3) 0.0613 (18) 0.4504 (7) 0.091 (8)
H46 0.1996 0.0486 0.4312 0.110*
C47 0.338 (3) 0.0689 (17) 0.4511 (7) 0.090 (8)
H47 0.3728 0.0537 0.4323 0.108*
C48 0.397 (3) 0.2339 (19) 0.6212 (7) 0.092 (8)
C49 0.461 (2) 0.2842 (19) 0.6410 (7) 0.097 (9)
H49 0.5269 0.2936 0.6348 0.117*
C50 0.427 (3) 0.3202 (19) 0.6701 (7) 0.100 (9)
H50 0.4699 0.3539 0.6834 0.119*
C51 0.329 (3) 0.306 (2) 0.6794 (7) 0.100 (9)
C52 0.264 (3) 0.256 (2) 0.6595 (7) 0.103 (9)
H52 0.1986 0.2463 0.6657 0.123*
C53 0.299 (3) 0.2197 (19) 0.6305 (7) 0.097 (9)
H53 0.2555 0.1861 0.6172 0.116*
C54 0.290 (2) 0.3566 (19) 0.7086 (7) 0.103 (9)
H54A 0.2264 0.3851 0.7032 0.123*
H54B 0.3363 0.4052 0.7145 0.123*
C55 0.350 (3) 0.284 (2) 0.7604 (9) 0.116 (11)
H55 0.4085 0.3171 0.7583 0.139*
C56 0.337 (3) 0.226 (2) 0.7869 (8) 0.111 (10)
H56 0.3873 0.2223 0.8025 0.133*
C57 0.250 (3) 0.174 (2) 0.7905 (8) 0.109 (10)
C58 0.175 (3) 0.190 (2) 0.7679 (8) 0.110 (10)
H58 0.1137 0.1599 0.7708 0.132*
C59 0.186 (3) 0.248 (2) 0.7405 (7) 0.107 (10)
H59 0.1343 0.2565 0.7255 0.128*
C60 0.128 (3) 0.038 (2) 0.8590 (8) 0.117 (11)
H60 0.0645 0.0246 0.8667 0.140*
C61 0.139 (3) 0.096 (2) 0.8310 (7) 0.111 (10)
H61 0.0830 0.1197 0.8203 0.133*
C62 0.236 (3) 0.115 (2) 0.8200 (8) 0.113 (10)
C63 0.320 (3) 0.078 (2) 0.8361 (8) 0.113 (10)
H63 0.3843 0.0925 0.8297 0.135*
C64 0.302 (3) 0.020 (2) 0.8615 (8) 0.114 (10)
H64 0.3567 −0.0097 0.8708 0.137*
C65 1.010 (4) 0.223 (3) 0.4218 (14) 0.17 (2)
C66 0.955 (4) 0.225 (3) 0.3905 (11) 0.20 (2)
H66A 0.8852 0.2360 0.3945 0.303*
H66B 0.9624 0.1672 0.3795 0.303*
H66C 0.9805 0.2737 0.3771 0.303*
C67 0.725 (6) 0.425 (5) 0.6406 (18) 0.24 (3)
C68 0.720 (3) 0.329 (3) 0.6295 (9) 0.154 (14)
H68A 0.6862 0.3256 0.6090 0.231*
H68B 0.6850 0.2923 0.6451 0.231*
H68C 0.7868 0.3049 0.6272 0.231*
C69 0.459 (4) 0.453 (4) 0.8142 (11) 0.161 (17)
C70 0.409 (4) 0.544 (3) 0.8068 (11) 0.20 (2)
H70A 0.4479 0.5768 0.7912 0.301*
H70B 0.4045 0.5794 0.8263 0.301*
H70C 0.3436 0.5324 0.7983 0.301*
C71 0.198 (4) 0.359 (4) 0.8609 (14) 0.19 (2)
C72 0.195 (4) 0.461 (4) 0.8581 (12) 0.21 (2)
H72A 0.1360 0.4840 0.8684 0.321*
H72B 0.1940 0.4781 0.8356 0.321*
H72C 0.2529 0.4871 0.8684 0.321*

Atomic displacement parameters (Å2)

U11 U22 U33 U12 U13 U23
Pt1 0.0891 (8) 0.0383 (5) 0.0674 (6) −0.0043 (5) −0.0096 (5) −0.0055 (4)
Pt2 0.1299 (11) 0.0437 (6) 0.0754 (8) 0.0258 (6) 0.0100 (6) 0.0125 (5)
Cl1 0.132 (10) 0.190 (13) 0.169 (12) −0.009 (9) −0.016 (8) 0.050 (10)
Cl2 0.160 (12) 0.157 (12) 0.209 (16) 0.004 (10) −0.036 (11) 0.013 (11)
Cl3 0.188 (14) 0.139 (11) 0.178 (13) −0.007 (10) 0.054 (10) 0.036 (9)
Cl4 0.089 (7) 0.133 (8) 0.152 (9) −0.007 (6) −0.024 (6) −0.002 (7)
Cl5 0.077 (4) 0.035 (3) 0.053 (3) 0.001 (2) −0.013 (3) −0.008 (2)
Cl6 0.140 (6) 0.068 (4) 0.051 (4) 0.052 (4) 0.017 (4) 0.000 (3)
N1 0.072 (16) 0.044 (11) 0.085 (16) −0.015 (10) −0.016 (13) −0.005 (9)
N2 0.075 (15) 0.054 (12) 0.092 (17) −0.008 (11) −0.032 (12) −0.001 (11)
N3 0.094 (17) 0.058 (13) 0.086 (16) −0.001 (11) −0.012 (14) 0.000 (11)
N4 0.11 (2) 0.10 (2) 0.085 (18) −0.007 (16) 0.001 (15) −0.005 (15)
N5 0.12 (2) 0.101 (19) 0.096 (19) 0.002 (17) 0.004 (18) −0.008 (14)
N6 0.12 (2) 0.057 (13) 0.079 (17) 0.020 (13) −0.003 (16) 0.020 (11)
N7 0.11 (2) 0.077 (15) 0.079 (18) 0.017 (13) 0.006 (15) 0.001 (12)
N8 0.14 (2) 0.055 (12) 0.051 (13) 0.025 (12) 0.021 (13) 0.018 (10)
N9 0.13 (2) 0.088 (18) 0.082 (18) −0.006 (17) 0.003 (17) 0.002 (14)
N10 0.15 (3) 0.10 (2) 0.092 (19) −0.017 (19) −0.014 (19) 0.015 (15)
N11 0.19 (4) 0.13 (3) 0.19 (4) 0.02 (2) −0.04 (3) −0.01 (3)
N12 0.31 (7) 0.18 (5) 0.34 (7) 0.00 (5) −0.01 (5) 0.02 (5)
N13 0.16 (3) 0.14 (3) 0.16 (3) 0.01 (2) −0.01 (2) 0.02 (3)
N14 0.19 (4) 0.15 (3) 0.15 (3) 0.00 (3) 0.00 (3) −0.01 (3)
O1 0.23 (4) 0.20 (4) 0.37 (6) 0.02 (3) 0.05 (4) 0.08 (4)
O2 0.31 (6) 0.75 (12) 0.34 (7) −0.02 (7) 0.23 (6) 0.13 (7)
O3 0.22 (4) 0.50 (8) 0.33 (5) 0.18 (5) −0.04 (4) 0.13 (5)
O4 0.38 (8) 0.38 (9) 0.38 (8) −0.01 (6) −0.01 (7) 0.00 (6)
O5 0.39 (9) 0.39 (9) 0.39 (9) 0.00 (7) 0.00 (7) 0.02 (7)
O6 0.35 (7) 0.35 (8) 0.73 (12) 0.26 (7) 0.04 (8) 0.17 (7)
O7 0.44 (9) 0.70 (13) 0.38 (8) −0.38 (10) −0.07 (6) 0.26 (9)
O8 0.47 (13) 0.48 (12) 0.48 (12) 0.00 (10) 0.00 (10) 0.00 (10)
O9 0.32 (6) 0.31 (6) 0.32 (6) 0.01 (5) 0.01 (5) 0.00 (5)
O10 0.16 (3) 0.43 (7) 0.39 (6) −0.06 (4) 0.11 (4) 0.18 (5)
O11 0.25 (4) 0.21 (4) 0.30 (5) 0.05 (3) 0.09 (4) 0.04 (3)
O12 0.93 (18) 0.37 (9) 0.63 (12) 0.12 (10) −0.59 (14) 0.11 (9)
O13 0.16 (3) 0.33 (4) 0.15 (3) 0.06 (3) 0.07 (2) 0.04 (3)
O14 0.38 (6) 0.17 (3) 0.42 (7) −0.06 (4) 0.18 (5) −0.16 (4)
O15 0.24 (4) 0.25 (5) 0.23 (4) 0.01 (3) −0.01 (3) 0.00 (3)
O16 0.087 (19) 0.20 (3) 0.38 (5) −0.08 (2) 0.01 (2) 0.01 (3)
O17 0.16 (3) 0.58 (9) 0.26 (5) −0.03 (4) −0.01 (3) 0.08 (5)
O18 0.49 (8) 0.12 (3) 0.52 (8) 0.04 (4) −0.09 (6) 0.02 (4)
O19 0.52 (13) 0.52 (12) 0.52 (11) 0.00 (9) 0.00 (9) −0.01 (9)
C1 0.077 (19) 0.043 (13) 0.077 (18) 0.003 (12) −0.016 (15) −0.004 (12)
C2 0.08 (2) 0.060 (16) 0.08 (2) −0.009 (13) −0.011 (14) −0.005 (13)
C3 0.08 (2) 0.065 (16) 0.079 (19) −0.009 (13) −0.010 (15) −0.004 (13)
C4 0.08 (2) 0.065 (17) 0.08 (2) −0.009 (13) −0.014 (16) 0.002 (14)
C5 0.08 (2) 0.050 (14) 0.08 (2) −0.008 (13) −0.009 (16) −0.005 (13)
C6 0.07 (2) 0.057 (15) 0.09 (2) −0.019 (12) −0.025 (17) −0.018 (13)
C7 0.08 (2) 0.069 (17) 0.09 (2) −0.005 (14) −0.015 (18) −0.010 (13)
C8 0.09 (2) 0.072 (18) 0.09 (2) −0.003 (15) −0.015 (16) −0.007 (15)
C9 0.08 (2) 0.071 (18) 0.10 (2) 0.003 (14) −0.023 (17) 0.002 (16)
C10 0.08 (2) 0.068 (18) 0.09 (2) 0.001 (14) −0.013 (18) −0.007 (14)
C11 0.08 (2) 0.061 (16) 0.09 (2) −0.012 (14) −0.015 (18) −0.002 (14)
C12 0.08 (2) 0.062 (16) 0.09 (2) −0.003 (15) −0.006 (16) 0.009 (14)
C13 0.09 (2) 0.067 (17) 0.09 (2) −0.004 (15) −0.005 (18) −0.004 (15)
C14 0.09 (2) 0.065 (17) 0.09 (2) −0.004 (15) −0.004 (16) 0.003 (14)
C15 0.09 (2) 0.067 (17) 0.09 (2) −0.007 (16) −0.015 (16) 0.002 (14)
C16 0.09 (2) 0.082 (19) 0.08 (2) −0.003 (16) −0.013 (17) 0.011 (15)
C17 0.09 (2) 0.09 (2) 0.08 (2) −0.005 (16) −0.010 (17) 0.012 (15)
C18 0.10 (3) 0.11 (2) 0.09 (2) −0.006 (19) −0.006 (18) 0.012 (18)
C19 0.10 (3) 0.10 (2) 0.08 (2) −0.006 (19) −0.007 (19) 0.004 (18)
C20 0.10 (2) 0.11 (2) 0.09 (2) −0.004 (18) −0.002 (19) 0.007 (18)
C21 0.09 (2) 0.10 (2) 0.09 (2) −0.010 (17) −0.004 (17) 0.013 (17)
C22 0.11 (2) 0.10 (2) 0.09 (2) −0.005 (17) −0.003 (17) −0.001 (19)
C23 0.11 (3) 0.11 (3) 0.09 (2) −0.014 (19) −0.003 (19) −0.013 (19)
C24 0.11 (3) 0.11 (2) 0.09 (2) −0.01 (2) 0.005 (18) −0.016 (19)
C25 0.11 (3) 0.10 (2) 0.09 (2) −0.010 (19) 0.004 (19) −0.008 (18)
C26 0.11 (3) 0.11 (2) 0.09 (2) −0.013 (19) 0.005 (19) −0.009 (19)
C27 0.11 (3) 0.11 (2) 0.09 (2) −0.01 (2) 0.004 (18) −0.007 (19)
C28 0.11 (3) 0.11 (3) 0.10 (3) 0.00 (2) 0.01 (2) −0.012 (19)
C29 0.12 (3) 0.11 (3) 0.10 (2) −0.01 (2) 0.00 (2) −0.01 (2)
C30 0.11 (3) 0.10 (2) 0.09 (2) −0.008 (19) 0.01 (2) −0.009 (18)
C31 0.11 (3) 0.10 (2) 0.09 (2) 0.00 (2) 0.005 (19) −0.008 (18)
C32 0.12 (3) 0.10 (2) 0.10 (2) −0.01 (2) 0.01 (2) −0.003 (18)
C33 0.13 (3) 0.075 (19) 0.08 (2) 0.013 (18) 0.00 (2) 0.013 (16)
C34 0.12 (3) 0.072 (19) 0.08 (2) 0.009 (17) 0.004 (18) 0.008 (15)
C35 0.12 (3) 0.064 (17) 0.07 (2) 0.009 (16) −0.004 (19) 0.006 (14)
C36 0.12 (2) 0.066 (17) 0.08 (2) 0.015 (17) 0.001 (18) 0.013 (15)
C37 0.12 (3) 0.064 (17) 0.07 (2) 0.024 (16) −0.002 (19) 0.014 (14)
C38 0.13 (3) 0.08 (2) 0.09 (3) 0.022 (19) 0.00 (2) 0.011 (17)
C39 0.13 (3) 0.08 (2) 0.09 (2) 0.015 (19) 0.00 (2) 0.006 (16)
C40 0.12 (3) 0.08 (2) 0.10 (3) 0.015 (17) 0.00 (2) 0.007 (17)
C41 0.12 (3) 0.08 (2) 0.11 (3) 0.02 (2) 0.00 (2) 0.005 (19)
C42 0.12 (3) 0.08 (2) 0.10 (2) 0.020 (18) 0.00 (2) 0.007 (16)
C43 0.12 (3) 0.063 (17) 0.07 (2) 0.021 (18) 0.001 (18) 0.011 (14)
C44 0.13 (3) 0.074 (18) 0.08 (2) 0.025 (19) 0.003 (18) 0.007 (15)
C45 0.12 (2) 0.068 (17) 0.08 (2) 0.021 (16) −0.004 (19) 0.012 (15)
C46 0.13 (3) 0.073 (18) 0.07 (2) 0.018 (18) −0.007 (19) 0.008 (14)
C47 0.13 (3) 0.066 (17) 0.08 (2) 0.025 (17) 0.005 (19) 0.011 (14)
C48 0.12 (3) 0.072 (19) 0.08 (2) 0.002 (18) −0.004 (19) 0.008 (15)
C49 0.12 (3) 0.08 (2) 0.09 (2) 0.000 (18) 0.001 (19) −0.007 (16)
C50 0.13 (3) 0.08 (2) 0.08 (2) −0.008 (19) 0.000 (19) 0.007 (17)
C51 0.13 (3) 0.09 (2) 0.08 (2) −0.01 (2) 0.00 (2) 0.001 (17)
C52 0.13 (3) 0.09 (2) 0.09 (2) −0.011 (19) 0.00 (2) 0.002 (18)
C53 0.12 (3) 0.08 (2) 0.08 (2) −0.004 (18) 0.007 (19) 0.000 (16)
C54 0.13 (3) 0.09 (2) 0.09 (2) −0.008 (18) 0.003 (19) −0.001 (17)
C55 0.14 (3) 0.10 (3) 0.10 (3) −0.01 (2) 0.00 (2) 0.01 (2)
C56 0.14 (3) 0.10 (2) 0.09 (2) −0.01 (2) 0.00 (2) 0.007 (18)
C57 0.14 (3) 0.09 (2) 0.09 (2) −0.01 (2) 0.00 (2) 0.008 (19)
C58 0.14 (3) 0.10 (2) 0.10 (3) −0.01 (2) 0.00 (2) 0.006 (19)
C59 0.14 (3) 0.09 (2) 0.09 (2) −0.01 (2) 0.00 (2) 0.004 (18)
C60 0.15 (3) 0.10 (3) 0.10 (3) −0.02 (2) 0.00 (2) 0.01 (2)
C61 0.14 (3) 0.10 (2) 0.09 (2) −0.01 (2) 0.00 (2) 0.008 (18)
C62 0.14 (3) 0.10 (2) 0.09 (2) −0.02 (2) 0.00 (2) 0.010 (19)
C63 0.14 (3) 0.10 (2) 0.10 (2) −0.01 (2) 0.00 (2) 0.011 (19)
C64 0.14 (3) 0.10 (3) 0.10 (2) 0.00 (2) −0.01 (2) 0.016 (19)
C65 0.19 (5) 0.14 (4) 0.18 (5) 0.02 (3) −0.07 (4) 0.01 (4)
C66 0.21 (5) 0.18 (5) 0.21 (5) 0.01 (4) −0.05 (4) −0.01 (4)
C67 0.27 (7) 0.16 (6) 0.29 (7) −0.01 (6) −0.02 (5) −0.01 (6)
C68 0.18 (4) 0.12 (3) 0.17 (4) −0.01 (3) −0.01 (3) 0.01 (3)
C69 0.17 (5) 0.15 (5) 0.16 (4) 0.01 (4) 0.00 (3) 0.01 (4)
C70 0.21 (5) 0.18 (5) 0.21 (5) 0.03 (4) 0.00 (4) 0.00 (4)
C71 0.20 (5) 0.16 (5) 0.20 (6) 0.02 (5) 0.02 (4) 0.00 (5)
C72 0.21 (5) 0.20 (6) 0.23 (6) 0.02 (5) −0.01 (4) 0.00 (5)

Geometric parameters (Å, °)

Pt1—N2 1.95 (2) C21—H21 0.9300
Pt1—N3 1.98 (2) C22—H22A 0.9700
Pt1—N1 1.99 (2) C22—H22B 0.9700
Pt1—Cl5 2.378 (5) C23—C24 1.39 (4)
Pt2—N6 1.91 (2) C23—H23 0.9300
Pt2—N8 1.92 (2) C24—C25 1.38 (4)
Pt2—N7 1.99 (3) C24—H24 0.9300
Pt2—Cl6 2.370 (5) C25—C26 1.38 (3)
Cl1—O2 1.38 (4) C25—C30 1.50 (4)
Cl1—O3 1.40 (4) C26—C27 1.38 (3)
Cl1—O4 1.40 (7) C26—H26 0.9300
Cl1—O1 1.40 (4) C27—H27 0.9300
Cl2—O5 1.40 (7) C28—C29 1.39 (4)
Cl2—O8 1.40 (9) C28—H28 0.9300
Cl2—O7 1.40 (6) C29—C30 1.37 (4)
Cl2—O6 1.40 (5) C29—H29 0.9300
Cl3—O11 1.39 (4) C30—C31 1.38 (4)
Cl3—O9 1.39 (5) C31—C32 1.38 (4)
Cl3—O10 1.39 (4) C31—H31 0.9300
Cl3—O12 1.40 (6) C32—H32 0.9300
Cl4—O15 1.39 (4) C33—C34 1.38 (4)
Cl4—O16 1.39 (2) C33—C38 1.54 (4)
Cl4—O14 1.40 (4) C34—C35 1.38 (4)
Cl4—O13 1.40 (3) C34—H34 0.9300
N1—C5 1.38 (3) C35—C36 1.41 (4)
N1—C1 1.41 (3) C35—C48 1.51 (4)
N2—C10 1.38 (3) C36—C37 1.38 (4)
N2—C6 1.39 (3) C36—H36 0.9300
N3—C15 1.40 (3) C37—C43 1.48 (4)
N3—C11 1.40 (3) C38—C39 1.39 (4)
N4—C27 1.37 (3) C39—C40 1.41 (4)
N4—C23 1.39 (3) C39—H39 0.9300
N4—C22 1.55 (3) C40—C41 1.40 (4)
N5—C32 1.37 (3) C40—H40 0.9300
N5—C28 1.38 (4) C41—C42 1.40 (4)
N6—C33 1.34 (3) C41—H41 0.9300
N6—C37 1.38 (3) C42—H42 0.9300
N7—C42 1.39 (4) C43—C44 1.38 (4)
N7—C38 1.40 (3) C44—C45 1.40 (4)
N8—C43 1.40 (3) C44—H44 0.9300
N8—C47 1.43 (3) C45—C46 1.38 (3)
N9—C55 1.37 (4) C45—H45 0.9300
N9—C59 1.38 (4) C46—C47 1.40 (4)
N9—C54 1.52 (3) C46—H46 0.9300
N10—C60 1.37 (4) C47—H47 0.9300
N10—C64 1.38 (4) C48—C53 1.39 (4)
N11—C65 1.16 (5) C48—C49 1.39 (4)
N12—C67 1.18 (6) C49—C50 1.39 (3)
N13—C69 1.16 (5) C49—H49 0.9300
N14—C71 1.16 (5) C50—C51 1.39 (4)
O17—H17C 0.8499 C50—H50 0.9300
O17—H17D 0.8499 C51—C52 1.39 (4)
O18—H18C 0.8500 C51—C54 1.51 (4)
O18—H18D 0.8502 C52—C53 1.39 (3)
O19—H19C 0.8501 C52—H52 0.9300
O19—H19D 0.8501 C53—H53 0.9300
C1—C2 1.41 (3) C54—H54A 0.9700
C1—C6 1.52 (3) C54—H54B 0.9700
C2—C3 1.41 (3) C55—C56 1.39 (4)
C2—H2 0.9300 C55—H55 0.9300
C3—C4 1.41 (3) C56—C57 1.40 (4)
C3—C16 1.54 (3) C56—H56 0.9300
C4—C5 1.39 (3) C57—C58 1.39 (4)
C4—H4 0.9300 C57—C62 1.51 (4)
C5—C11 1.46 (3) C58—C59 1.42 (4)
C6—C7 1.37 (3) C58—H58 0.9300
C7—C8 1.41 (3) C59—H59 0.9300
C7—H7 0.9300 C60—C61 1.44 (4)
C8—C9 1.39 (3) C60—H60 0.9300
C8—H8 0.9300 C61—C62 1.41 (4)
C9—C10 1.38 (3) C61—H61 0.9300
C9—H9 0.9300 C62—C63 1.40 (4)
C10—H10 0.9300 C63—C64 1.37 (4)
C11—C12 1.40 (3) C63—H63 0.9300
C12—C13 1.39 (3) C64—H64 0.9300
C12—H12 0.9300 C65—C66 1.49 (5)
C13—C14 1.38 (3) C66—H66A 0.9600
C13—H13 0.9300 C66—H66B 0.9600
C14—C15 1.39 (3) C66—H66C 0.9600
C14—H14 0.9300 C67—C68 1.48 (7)
C15—H15 0.9300 C68—H68A 0.9600
C16—C17 1.39 (3) C68—H68B 0.9600
C16—C21 1.39 (4) C68—H68C 0.9600
C17—C18 1.39 (3) C69—C70 1.50 (6)
C17—H17 0.9300 C70—H70A 0.9600
C18—C19 1.39 (4) C70—H70B 0.9600
C18—H18 0.9300 C70—H70C 0.9600
C19—C20 1.39 (4) C71—C72 1.49 (6)
C19—C22 1.50 (4) C72—H72A 0.9600
C20—C21 1.39 (3) C72—H72B 0.9600
C20—H20 0.9300 C72—H72C 0.9600
N2—Pt1—N3 163.2 (9) N4—C27—C26 118 (3)
N2—Pt1—N1 82.7 (9) N4—C27—H27 121.1
N3—Pt1—N1 80.6 (10) C26—C27—H27 121.1
N2—Pt1—Cl5 98.2 (6) N5—C28—C29 120 (3)
N3—Pt1—Cl5 98.5 (7) N5—C28—H28 120.1
N1—Pt1—Cl5 179.1 (7) C29—C28—H28 120.1
N6—Pt2—N8 81.2 (11) C30—C29—C28 122 (3)
N6—Pt2—N7 80.8 (12) C30—C29—H29 118.8
N8—Pt2—N7 162.0 (10) C28—C29—H29 118.8
N6—Pt2—Cl6 178.2 (7) C29—C30—C31 116 (3)
N8—Pt2—Cl6 99.4 (6) C29—C30—C25 120 (3)
N7—Pt2—Cl6 98.6 (8) C31—C30—C25 124 (3)
O2—Cl1—O3 110 (3) C32—C31—C30 122 (3)
O2—Cl1—O4 110 (4) C32—C31—H31 118.9
O3—Cl1—O4 109 (4) C30—C31—H31 118.9
O2—Cl1—O1 110 (4) N5—C32—C31 121 (3)
O3—Cl1—O1 109 (3) N5—C32—H32 119.3
O4—Cl1—O1 109 (3) C31—C32—H32 119.3
O5—Cl2—O8 110 (5) N6—C33—C34 121 (3)
O5—Cl2—O7 110 (4) N6—C33—C38 109 (3)
O8—Cl2—O7 109 (5) C34—C33—C38 129 (3)
O5—Cl2—O6 109 (4) C35—C34—C33 122 (3)
O8—Cl2—O6 109 (5) C35—C34—H34 119.2
O7—Cl2—O6 109 (5) C33—C34—H34 119.2
O11—Cl3—O9 112 (3) C34—C35—C36 115 (3)
O11—Cl3—O10 112 (3) C34—C35—C48 121 (3)
O9—Cl3—O10 111 (3) C36—C35—C48 123 (3)
O11—Cl3—O12 102 (4) C37—C36—C35 123 (3)
O9—Cl3—O12 109 (4) C37—C36—H36 118.3
O10—Cl3—O12 111 (5) C35—C36—H36 118.3
O15—Cl4—O16 111 (2) C36—C37—N6 118 (3)
O15—Cl4—O14 109 (3) C36—C37—C43 129 (3)
O16—Cl4—O14 109 (2) N6—C37—C43 112 (3)
O15—Cl4—O13 110 (2) C39—C38—N7 122 (3)
O16—Cl4—O13 110 (2) C39—C38—C33 124 (3)
O14—Cl4—O13 108 (2) N7—C38—C33 113 (3)
C5—N1—C1 128 (2) C38—C39—C40 122 (3)
C5—N1—Pt1 116.9 (17) C38—C39—H39 119.0
C1—N1—Pt1 114.5 (16) C40—C39—H39 119.0
C10—N2—C6 113 (2) C41—C40—C39 115 (3)
C10—N2—Pt1 130 (2) C41—C40—H40 122.3
C6—N2—Pt1 117.2 (17) C39—C40—H40 122.3
C15—N3—C11 112 (2) C42—C41—C40 121 (3)
C15—N3—Pt1 133 (2) C42—C41—H41 119.3
C11—N3—Pt1 115.2 (19) C40—C41—H41 119.3
C27—N4—C23 122 (3) N7—C42—C41 123 (3)
C27—N4—C22 116 (3) N7—C42—H42 118.3
C23—N4—C22 122 (3) C41—C42—H42 118.3
C32—N5—C28 117 (3) C44—C43—N8 128 (3)
C33—N6—C37 120 (3) C44—C43—C37 121 (3)
C33—N6—Pt2 122 (2) N8—C43—C37 110 (3)
C37—N6—Pt2 118 (2) C43—C44—C45 116 (3)
C42—N7—C38 115 (3) C43—C44—H44 122.2
C42—N7—Pt2 130 (2) C45—C44—H44 122.2
C38—N7—Pt2 114 (2) C46—C45—C44 122 (3)
C43—N8—C47 111 (3) C46—C45—H45 119.1
C43—N8—Pt2 118 (2) C44—C45—H45 119.1
C47—N8—Pt2 130.6 (18) C45—C46—C47 118 (3)
C55—N9—C59 121 (3) C45—C46—H46 121.2
C55—N9—C54 121 (3) C47—C46—H46 121.2
C59—N9—C54 118 (3) C46—C47—N8 125 (3)
C60—N10—C64 117 (3) C46—C47—H47 117.7
H17C—O17—H17D 109.0 N8—C47—H47 117.7
H18C—O18—H18D 108.0 C53—C48—C49 120 (3)
H19C—O19—H19D 108.8 C53—C48—C35 119 (3)
C2—C1—N1 114 (2) C49—C48—C35 121 (3)
C2—C1—C6 132 (3) C50—C49—C48 120 (3)
N1—C1—C6 113 (2) C50—C49—H49 120.0
C1—C2—C3 121 (2) C48—C49—H49 120.0
C1—C2—H2 119.5 C51—C50—C49 120 (3)
C3—C2—H2 119.5 C51—C50—H50 120.0
C4—C3—C2 119 (2) C49—C50—H50 120.0
C4—C3—C16 121 (2) C50—C51—C52 120 (3)
C2—C3—C16 120 (2) C50—C51—C54 119 (3)
C5—C4—C3 123 (3) C52—C51—C54 121 (3)
C5—C4—H4 118.3 C51—C52—C53 120 (3)
C3—C4—H4 118.3 C51—C52—H52 120.0
N1—C5—C4 114 (2) C53—C52—H52 120.0
N1—C5—C11 113 (2) C48—C53—C52 120 (3)
C4—C5—C11 133 (3) C48—C53—H53 120.0
C7—C6—N2 130 (2) C52—C53—H53 120.0
C7—C6—C1 118 (3) C51—C54—N9 112 (2)
N2—C6—C1 112 (2) C51—C54—H54A 109.3
C6—C7—C8 114 (3) N9—C54—H54A 109.3
C6—C7—H7 122.8 C51—C54—H54B 109.3
C8—C7—H7 122.8 N9—C54—H54B 109.3
C9—C8—C7 119 (3) H54A—C54—H54B 107.9
C9—C8—H8 120.4 N9—C55—C56 121 (3)
C7—C8—H8 120.4 N9—C55—H55 119.6
C10—C9—C8 121 (3) C56—C55—H55 119.6
C10—C9—H9 119.3 C55—C56—C57 121 (3)
C8—C9—H9 119.3 C55—C56—H56 119.6
N2—C10—C9 123 (3) C57—C56—H56 119.6
N2—C10—H10 118.7 C58—C57—C56 117 (3)
C9—C10—H10 118.7 C58—C57—C62 123 (4)
C12—C11—N3 124 (3) C56—C57—C62 120 (3)
C12—C11—C5 121 (3) C57—C58—C59 123 (3)
N3—C11—C5 114 (3) C57—C58—H58 118.3
C13—C12—C11 120 (3) C59—C58—H58 118.3
C13—C12—H12 120.1 N9—C59—C58 117 (3)
C11—C12—H12 120.1 N9—C59—H59 121.7
C14—C13—C12 119 (3) C58—C59—H59 121.7
C14—C13—H13 120.4 N10—C60—C61 121 (3)
C12—C13—H13 120.4 N10—C60—H60 119.4
C13—C14—C15 118 (3) C61—C60—H60 119.4
C13—C14—H14 121.0 C62—C61—C60 118 (3)
C15—C14—H14 121.0 C62—C61—H61 121.0
C14—C15—N3 126 (3) C60—C61—H61 121.0
C14—C15—H15 116.8 C63—C62—C61 121 (3)
N3—C15—H15 116.8 C63—C62—C57 120 (4)
C17—C16—C21 120 (3) C61—C62—C57 119 (4)
C17—C16—C3 118 (3) C64—C63—C62 117 (4)
C21—C16—C3 121 (3) C64—C63—H63 121.5
C16—C17—C18 120 (3) C62—C63—H63 121.5
C16—C17—H17 120.0 C63—C64—N10 125 (3)
C18—C17—H17 120.0 C63—C64—H64 117.3
C19—C18—C17 120 (3) N10—C64—H64 117.3
C19—C18—H18 120.0 N11—C65—C66 171 (6)
C17—C18—H18 120.0 C65—C66—H66A 109.5
C20—C19—C18 120 (3) C65—C66—H66B 109.5
C20—C19—C22 118 (3) H66A—C66—H66B 109.5
C18—C19—C22 121 (3) C65—C66—H66C 109.5
C19—C20—C21 120 (3) H66A—C66—H66C 109.5
C19—C20—H20 120.0 H66B—C66—H66C 109.5
C21—C20—H20 120.0 N12—C67—C68 165 (9)
C16—C21—C20 120 (3) C67—C68—H68A 109.5
C16—C21—H21 120.0 C67—C68—H68B 109.5
C20—C21—H21 120.0 H68A—C68—H68B 109.5
C19—C22—N4 109 (2) C67—C68—H68C 109.5
C19—C22—H22A 109.8 H68A—C68—H68C 109.5
N4—C22—H22A 109.8 H68B—C68—H68C 109.5
C19—C22—H22B 109.8 N13—C69—C70 168 (5)
N4—C22—H22B 109.8 C69—C70—H70A 109.5
H22A—C22—H22B 108.3 C69—C70—H70B 109.5
N4—C23—C24 117 (3) H70A—C70—H70B 109.5
N4—C23—H23 121.7 C69—C70—H70C 109.5
C24—C23—H23 121.7 H70A—C70—H70C 109.5
C25—C24—C23 125 (3) H70B—C70—H70C 109.5
C25—C24—H24 117.7 N14—C71—C72 160 (7)
C23—C24—H24 117.7 C71—C72—H72A 109.5
C26—C25—C24 115 (3) C71—C72—H72B 109.5
C26—C25—C30 125 (3) H72A—C72—H72B 109.5
C24—C25—C30 121 (3) C71—C72—H72C 109.5
C25—C26—C27 124 (3) H72A—C72—H72C 109.5
C25—C26—H26 117.8 H72B—C72—H72C 109.5
C27—C26—H26 117.8
N2—Pt1—N1—C5 −178.3 (16) C23—C24—C25—C30 177 (3)
N3—Pt1—N1—C5 0.2 (15) C24—C25—C26—C27 6(5)
Cl5—Pt1—N1—C5 −10 (33) C30—C25—C26—C27 −176 (3)
N2—Pt1—N1—C1 −4.9 (14) C23—N4—C27—C26 4(4)
N3—Pt1—N1—C1 173.7 (15) C22—N4—C27—C26 177 (3)
Cl5—Pt1—N1—C1 164 (31) C25—C26—C27—N4 −5(5)
N3—Pt1—N2—C10 175 (2) C32—N5—C28—C29 −11 (4)
N1—Pt1—N2—C10 −180 (2) N5—C28—C29—C30 11 (5)
Cl5—Pt1—N2—C10 0(2) C28—C29—C30—C31 −3(5)
N3—Pt1—N2—C6 −4(4) C28—C29—C30—C25 177 (3)
N1—Pt1—N2—C6 1.2 (15) C26—C25—C30—C29 −152 (3)
Cl5—Pt1—N2—C6 −178.6 (15) C24—C25—C30—C29 26 (5)
N2—Pt1—N3—C15 −171 (2) C26—C25—C30—C31 28 (5)
N1—Pt1—N3—C15 −176 (2) C24—C25—C30—C31 −154 (3)
Cl5—Pt1—N3—C15 4(2) C29—C30—C31—C32 −5(5)
N2—Pt1—N3—C11 5(4) C25—C30—C31—C32 175 (3)
N1—Pt1—N3—C11 0.0 (16) C28—N5—C32—C31 3(4)
Cl5—Pt1—N3—C11 179.9 (15) C30—C31—C32—N5 5(5)
N8—Pt2—N6—C33 177 (2) C37—N6—C33—C34 −9(4)
N7—Pt2—N6—C33 −2(2) Pt2—N6—C33—C34 175.2 (19)
Cl6—Pt2—N6—C33 −73 (29) C37—N6—C33—C38 −179 (2)
N8—Pt2—N6—C37 1.4 (17) Pt2—N6—C33—C38 6(3)
N7—Pt2—N6—C37 −177.7 (18) N6—C33—C34—C35 9(4)
Cl6—Pt2—N6—C37 111 (29) C38—C33—C34—C35 176 (3)
N6—Pt2—N7—C42 −175 (2) C33—C34—C35—C36 −7(4)
N8—Pt2—N7—C42 −177 (2) C33—C34—C35—C48 180 (2)
Cl6—Pt2—N7—C42 4(2) C34—C35—C36—C37 6(4)
N6—Pt2—N7—C38 −2.7 (18) C48—C35—C36—C37 180 (2)
N8—Pt2—N7—C38 −6(4) C35—C36—C37—N6 −7(4)
Cl6—Pt2—N7—C38 175.5 (17) C35—C36—C37—C43 180 (2)
N6—Pt2—N8—C43 −0.9 (16) C33—N6—C37—C36 8(3)
N7—Pt2—N8—C43 2(3) Pt2—N6—C37—C36 −176.1 (17)
Cl6—Pt2—N8—C43 −179.2 (15) C33—N6—C37—C43 −177 (2)
N6—Pt2—N8—C47 −180 (2) Pt2—N6—C37—C43 −2(3)
N7—Pt2—N8—C47 −177 (2) C42—N7—C38—C39 −4(4)
Cl6—Pt2—N8—C47 2(2) Pt2—N7—C38—C39 −177 (2)
C5—N1—C1—C2 −8(3) C42—N7—C38—C33 179 (2)
Pt1—N1—C1—C2 179.1 (15) Pt2—N7—C38—C33 6(3)
C5—N1—C1—C6 179.9 (19) N6—C33—C38—C39 176 (3)
Pt1—N1—C1—C6 7(2) C34—C33—C38—C39 7(5)
N1—C1—C2—C3 5(3) N6—C33—C38—N7 −7(3)
C6—C1—C2—C3 175 (2) C34—C33—C38—N7 −176 (3)
C1—C2—C3—C4 −4(3) N7—C38—C39—C40 2(4)
C1—C2—C3—C16 177 (2) C33—C38—C39—C40 179 (2)
C2—C3—C4—C5 4(4) C38—C39—C40—C41 3(4)
C16—C3—C4—C5 −176 (2) C39—C40—C41—C42 −7(4)
C1—N1—C5—C4 9(3) C38—N7—C42—C41 0(4)
Pt1—N1—C5—C4 −179.1 (15) Pt2—N7—C42—C41 172 (2)
C1—N1—C5—C11 −173 (2) C40—C41—C42—N7 5(4)
Pt1—N1—C5—C11 0(2) C47—N8—C43—C44 −1(3)
C3—C4—C5—N1 −6(3) Pt2—N8—C43—C44 −180 (2)
C3—C4—C5—C11 176 (2) C47—N8—C43—C37 179.3 (19)
C10—N2—C6—C7 7(3) Pt2—N8—C43—C37 0(3)
Pt1—N2—C6—C7 −174.0 (19) C36—C37—C43—C44 −5(4)
C10—N2—C6—C1 −176.8 (18) N6—C37—C43—C44 −179 (2)
Pt1—N2—C6—C1 2(2) C36—C37—C43—N8 175 (2)
C2—C1—C6—C7 1(4) N6—C37—C43—N8 1(3)
N1—C1—C6—C7 170.5 (19) N8—C43—C44—C45 5(4)
C2—C1—C6—N2 −176 (2) C37—C43—C44—C45 −175 (2)
N1—C1—C6—N2 −6(3) C43—C44—C45—C46 −10 (4)
N2—C6—C7—C8 −6(4) C44—C45—C46—C47 11 (4)
C1—C6—C7—C8 178 (2) C45—C46—C47—N8 −7(4)
C6—C7—C8—C9 2(3) C43—N8—C47—C46 2(3)
C7—C8—C9—C10 0(4) Pt2—N8—C47—C46 −179.2 (18)
C6—N2—C10—C9 −4(3) C34—C35—C48—C53 −171 (3)
Pt1—N2—C10—C9 176.8 (17) C36—C35—C48—C53 15 (4)
C8—C9—C10—N2 1(4) C34—C35—C48—C49 13 (4)
C15—N3—C11—C12 −1(3) C36—C35—C48—C49 −160 (3)
Pt1—N3—C11—C12 −177.7 (19) C53—C48—C49—C50 0(4)
C15—N3—C11—C5 176.3 (19) C35—C48—C49—C50 175 (2)
Pt1—N3—C11—C5 0(3) C48—C49—C50—C51 0(4)
N1—C5—C11—C12 178 (2) C49—C50—C51—C52 0(4)
C4—C5—C11—C12 −4(4) C49—C50—C51—C54 −172 (3)
N1—C5—C11—N3 0(3) C50—C51—C52—C53 0(5)
C4—C5—C11—N3 179 (2) C54—C51—C52—C53 172 (3)
N3—C11—C12—C13 1(4) C49—C48—C53—C52 0(4)
C5—C11—C12—C13 −176 (2) C35—C48—C53—C52 −176 (2)
C11—C12—C13—C14 −3(4) C51—C52—C53—C48 0(4)
C12—C13—C14—C15 4(4) C50—C51—C54—N9 −108 (3)
C13—C14—C15—N3 −4(4) C52—C51—C54—N9 81 (4)
C11—N3—C15—C14 3(3) C55—N9—C54—C51 96 (4)
Pt1—N3—C15—C14 178.3 (18) C59—N9—C54—C51 −89 (3)
C4—C3—C16—C17 168 (2) C59—N9—C55—C56 4(5)
C2—C3—C16—C17 −12 (4) C54—N9—C55—C56 179 (3)
C4—C3—C16—C21 −7(4) N9—C55—C56—C57 1(5)
C2—C3—C16—C21 173 (2) C55—C56—C57—C58 −5(5)
C21—C16—C17—C18 0(4) C55—C56—C57—C62 −178 (3)
C3—C16—C17—C18 −175 (2) C56—C57—C58—C59 6(5)
C16—C17—C18—C19 0(4) C62—C57—C58—C59 178 (3)
C17—C18—C19—C20 0(5) C55—N9—C59—C58 −4(4)
C17—C18—C19—C22 173 (3) C54—N9—C59—C58 −179 (2)
C18—C19—C20—C21 0(5) C57—C58—C59—N9 −1(5)
C22—C19—C20—C21 −174 (3) C64—N10—C60—C61 −3(5)
C17—C16—C21—C20 0(4) N10—C60—C61—C62 0(5)
C3—C16—C21—C20 175 (2) C60—C61—C62—C63 0(5)
C19—C20—C21—C16 0(5) C60—C61—C62—C57 180 (3)
C20—C19—C22—N4 −96 (3) C58—C57—C62—C63 160 (3)
C18—C19—C22—N4 90 (3) C56—C57—C62—C63 −28 (5)
C27—N4—C22—C19 80 (3) C58—C57—C62—C61 −20 (5)
C23—N4—C22—C19 −108 (3) C56—C57—C62—C61 152 (3)
C27—N4—C23—C24 −4(4) C61—C62—C63—C64 3(5)
C22—N4—C23—C24 −176 (3) C57—C62—C63—C64 −176 (3)
N4—C23—C24—C25 4(5) C62—C63—C64—N10 −7(5)
C23—C24—C25—C26 −5(5) C60—N10—C64—C63 7(5)

Footnotes

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: SJ2800).

References

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Associated Data

This section collects any data citations, data availability statements, or supplementary materials included in this article.

Supplementary Materials

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536810017782/sj2800sup1.cif

e-66-0m681-sup1.cif (47.6KB, cif)

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810017782/sj2800Isup2.hkl

e-66-0m681-Isup2.hkl (690.8KB, hkl)

Additional supplementary materials: crystallographic information; 3D view; checkCIF report


Articles from Acta Crystallographica Section E: Structure Reports Online are provided here courtesy of International Union of Crystallography

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