The title compound, [PtCl2(C34H31NP2)], crystallizes with four crystallographically independent molecules. All four molecules have the same R chirality, with P—Pt—P bite angles ranging from 72.14 (5) to 72.38 (5)°.
Supporting information
CCDC reference: 633633
Key indicators
- Single-crystal X-ray study
- T = 150 K
- Mean (C-C) = 0.009 Å
- R factor = 0.034
- wR factor = 0.054
- Data-to-parameter ratio = 19.7
checkCIF/PLATON results
No syntax errors found
Alert level B
PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.76 Ratio
Alert level C
PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.68 Ratio
PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.38 Ratio
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 9
Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
correct. If it is not, please give the correct count in the
_publ_section_exptl_refinement section of the submitted CIF.
From the CIF: _diffrn_reflns_theta_max 27.45
From the CIF: _reflns_number_total 28340
Count of symmetry unique reflns 14696
Completeness (_total/calc) 192.84%
TEST3: Check Friedels for noncentro structure
Estimate of Friedel pairs measured 13644
Fraction of Friedel pairs measured 0.928
Are heavy atom types Z>Si present yes
PLAT791_ALERT_1_G Confirm the Absolute Configuration of C1 = . R
PLAT791_ALERT_1_G Confirm the Absolute Configuration of C35 = . R
PLAT791_ALERT_1_G Confirm the Absolute Configuration of C69 = . R
PLAT791_ALERT_1_G Confirm the Absolute Configuration of C103 = . R
0 ALERT level A = In general: serious problem
1 ALERT level B = Potentially serious problem
3 ALERT level C = Check and explain
5 ALERT level G = General alerts; check
4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
2 ALERT type 2 Indicator that the structure model may be wrong or deficient
2 ALERT type 3 Indicator that the structure quality may be low
1 ALERT type 4 Improvement, methodology, query or suggestion
0 ALERT type 5 Informative message, check
Data collection: COLLECT (Hooft, 1998); cell refinement: DIRAX (Duisenberg, 1992); data reduction: EVALCCD (Duisenberg et al., 2003); program(s) used to solve structure: SHELXS86 (Sheldrick, 1985); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON (Spek, 2003); software used to prepare material for publication: PLATON.
[
N,
N-Bis(diphenylphosphanyl)-(
R)-1,2,3,4-tetrahydro-1-
naphthylamine-
κ2P,
P']dichloroplatinum(II)
top
Crystal data top
[PtCl2(C34H31NP2)] | F(000) = 3072 |
Mr = 781.53 | Dx = 1.672 Mg m−3 |
Monoclinic, P21 | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: P 2yb | Cell parameters from 399 reflections |
a = 19.107 (1) Å | θ = 3.7–22.4° |
b = 15.9176 (7) Å | µ = 4.82 mm−1 |
c = 20.8122 (11) Å | T = 150 K |
β = 101.266 (5)° | Block, colourless |
V = 6207.8 (5) Å3 | 0.33 × 0.13 × 0.06 mm |
Z = 8 | |
Data collection top
Nonius KappaCCD diffractometer | 28340 independent reflections |
Radiation source: Rotating Anode | 21447 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.065 |
Detector resolution: 18.4 pixels mm-1 | θmax = 27.5°, θmin = 1.6° |
φ and ω scans | h = −24→24 |
Absorption correction: multi-scan (SADABS; Sheldrick, 2002) | k = −20→20 |
Tmin = 0.44, Tmax = 0.75 | l = −26→26 |
151899 measured reflections | |
Refinement top
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.034 | H-atom parameters constrained |
wR(F2) = 0.054 | w = 1/[σ2(Fo2) + (0.0146P)2 + 3.8989P] where P = (Fo2 + 2Fc2)/3 |
S = 1.02 | (Δ/σ)max = 0.002 |
28340 reflections | Δρmax = 1.42 e Å−3 |
1441 parameters | Δρmin = −0.87 e Å−3 |
1 restraint | Absolute structure: Flack (1983) |
Primary atom site location: structure-invariant direct methods | Absolute structure parameter: −0.021 (3) |
Special details top
Geometry. Bond distances, angles etc. have been calculated using the rounded
fractional coordinates. All su's are estimated from the variances of the
(full) variance-covariance matrix. The cell e.s.d.'s are taken into account in
the estimation of distances, angles and torsion angles |
Refinement. Refinement on F2 for ALL reflections except those flagged by the user
for potential systematic errors. Weighted R-factors wR and all
goodnesses of fit S are based on F2, conventional
R-factors R are based on F, with F set to zero for
negative F2. The observed criterion of F2 > σ(F2)
is used only for calculating -R-factor-obs 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) top | x | y | z | Uiso*/Ueq | |
Pt1 | 0.26058 (1) | 0.34624 (2) | 0.24145 (1) | 0.0154 (1) | |
Cl1 | 0.37002 (8) | 0.38303 (10) | 0.21276 (7) | 0.0248 (5) | |
Cl2 | 0.31780 (8) | 0.29968 (10) | 0.34632 (7) | 0.0267 (5) | |
P1 | 0.19337 (8) | 0.38076 (10) | 0.14647 (7) | 0.0154 (5) | |
P2 | 0.14822 (7) | 0.32432 (10) | 0.24862 (6) | 0.0163 (5) | |
N1 | 0.1150 (2) | 0.3577 (3) | 0.17060 (17) | 0.0148 (13) | |
C1 | 0.0384 (3) | 0.3669 (4) | 0.1381 (2) | 0.0209 (19) | |
C2 | 0.0178 (3) | 0.3006 (4) | 0.0848 (3) | 0.0298 (19) | |
C3 | −0.0571 (3) | 0.3178 (4) | 0.0454 (3) | 0.038 (2) | |
C4 | −0.0555 (3) | 0.4009 (4) | 0.0086 (3) | 0.039 (2) | |
C5 | −0.0237 (3) | 0.4721 (4) | 0.0533 (3) | 0.0297 (19) | |
C6 | 0.0197 (3) | 0.4571 (4) | 0.1154 (3) | 0.0216 (19) | |
C7 | 0.0434 (3) | 0.5242 (4) | 0.1564 (3) | 0.0263 (19) | |
C8 | 0.0280 (3) | 0.6068 (4) | 0.1361 (3) | 0.036 (2) | |
C9 | −0.0127 (3) | 0.6222 (4) | 0.0744 (3) | 0.041 (3) | |
C10 | −0.0380 (3) | 0.5553 (5) | 0.0333 (3) | 0.036 (3) | |
C11 | 0.2044 (3) | 0.3143 (4) | 0.0791 (2) | 0.0205 (19) | |
C12 | 0.1863 (3) | 0.2302 (4) | 0.0823 (3) | 0.0259 (17) | |
C13 | 0.2005 (3) | 0.1756 (4) | 0.0344 (3) | 0.036 (2) | |
C14 | 0.2312 (3) | 0.2035 (4) | −0.0167 (3) | 0.037 (3) | |
C15 | 0.2487 (3) | 0.2854 (4) | −0.0196 (3) | 0.037 (2) | |
C16 | 0.2370 (3) | 0.3414 (4) | 0.0287 (2) | 0.0293 (17) | |
C17 | 0.1930 (3) | 0.4888 (4) | 0.1206 (3) | 0.0180 (17) | |
C18 | 0.2195 (3) | 0.5483 (4) | 0.1670 (3) | 0.0252 (19) | |
C19 | 0.2121 (3) | 0.6331 (4) | 0.1522 (3) | 0.029 (2) | |
C20 | 0.1795 (3) | 0.6585 (4) | 0.0896 (3) | 0.027 (2) | |
C21 | 0.1548 (3) | 0.5983 (4) | 0.0419 (3) | 0.026 (2) | |
C22 | 0.1602 (3) | 0.5132 (4) | 0.0569 (3) | 0.0203 (17) | |
C23 | 0.1208 (3) | 0.2167 (4) | 0.2572 (2) | 0.0199 (17) | |
C24 | 0.1727 (3) | 0.1583 (4) | 0.2803 (3) | 0.027 (2) | |
C25 | 0.1559 (4) | 0.0739 (4) | 0.2843 (3) | 0.034 (2) | |
C26 | 0.0887 (4) | 0.0477 (4) | 0.2656 (3) | 0.038 (3) | |
C27 | 0.0345 (4) | 0.1044 (4) | 0.2426 (3) | 0.040 (2) | |
C28 | 0.0499 (3) | 0.1895 (4) | 0.2391 (3) | 0.0265 (17) | |
C29 | 0.1092 (3) | 0.3913 (4) | 0.3029 (2) | 0.0179 (19) | |
C30 | 0.0440 (3) | 0.3744 (4) | 0.3209 (2) | 0.0228 (19) | |
C31 | 0.0147 (3) | 0.4321 (4) | 0.3567 (3) | 0.031 (2) | |
C32 | 0.0498 (3) | 0.5060 (4) | 0.3756 (3) | 0.034 (3) | |
C33 | 0.1161 (3) | 0.5240 (4) | 0.3588 (3) | 0.034 (2) | |
C34 | 0.1458 (3) | 0.4652 (4) | 0.3235 (3) | 0.0291 (19) | |
Pt2 | 0.26526 (1) | 0.34810 (2) | 0.72977 (1) | 0.0145 (1) | |
Cl3 | 0.37268 (7) | 0.39334 (11) | 0.70052 (7) | 0.0280 (5) | |
Cl4 | 0.32601 (7) | 0.31012 (10) | 0.83520 (6) | 0.0261 (5) | |
P3 | 0.19101 (7) | 0.37631 (9) | 0.63637 (6) | 0.0142 (4) | |
P4 | 0.15723 (7) | 0.31422 (9) | 0.74210 (6) | 0.0138 (4) | |
N2 | 0.11664 (19) | 0.3487 (3) | 0.66608 (15) | 0.0143 (13) | |
C35 | 0.0382 (2) | 0.3453 (4) | 0.63799 (19) | 0.0168 (14) | |
C36 | 0.0183 (3) | 0.2606 (4) | 0.6036 (3) | 0.023 (2) | |
C37 | −0.0552 (3) | 0.2649 (4) | 0.5594 (3) | 0.034 (2) | |
C38 | −0.0547 (3) | 0.3312 (4) | 0.5059 (2) | 0.0315 (19) | |
C39 | −0.0301 (3) | 0.4144 (4) | 0.5343 (3) | 0.0217 (19) | |
C40 | 0.0113 (3) | 0.4216 (4) | 0.5973 (3) | 0.0175 (19) | |
C41 | 0.0263 (3) | 0.5009 (4) | 0.6254 (3) | 0.0251 (19) | |
C42 | 0.0033 (3) | 0.5734 (3) | 0.5911 (3) | 0.032 (2) | |
C43 | −0.0361 (3) | 0.5661 (4) | 0.5272 (3) | 0.031 (2) | |
C44 | −0.0524 (3) | 0.4884 (4) | 0.5003 (3) | 0.0288 (19) | |
C45 | 0.1974 (3) | 0.3111 (3) | 0.5662 (2) | 0.0140 (16) | |
C46 | 0.2520 (3) | 0.2544 (4) | 0.5723 (3) | 0.0234 (19) | |
C47 | 0.2571 (3) | 0.2001 (4) | 0.5215 (3) | 0.031 (2) | |
C48 | 0.2086 (4) | 0.2009 (4) | 0.4654 (3) | 0.034 (3) | |
C49 | 0.1522 (3) | 0.2590 (4) | 0.4576 (3) | 0.033 (2) | |
C50 | 0.1469 (3) | 0.3137 (4) | 0.5081 (2) | 0.0232 (17) | |
C51 | 0.1867 (3) | 0.4851 (4) | 0.6121 (2) | 0.0161 (17) | |
C52 | 0.1910 (3) | 0.5433 (4) | 0.6624 (3) | 0.0237 (19) | |
C53 | 0.1847 (3) | 0.6289 (4) | 0.6479 (3) | 0.0260 (19) | |
C54 | 0.1772 (3) | 0.6561 (4) | 0.5839 (3) | 0.026 (2) | |
C55 | 0.1760 (3) | 0.5980 (4) | 0.5349 (3) | 0.0238 (17) | |
C56 | 0.1805 (3) | 0.5130 (4) | 0.5478 (2) | 0.0187 (17) | |
C57 | 0.1407 (3) | 0.2038 (3) | 0.7491 (2) | 0.0158 (17) | |
C58 | 0.1471 (3) | 0.1535 (3) | 0.6963 (3) | 0.0226 (17) | |
C59 | 0.1387 (3) | 0.0657 (4) | 0.6997 (3) | 0.0300 (19) | |
C60 | 0.1257 (3) | 0.0311 (4) | 0.7571 (3) | 0.0265 (19) | |
C61 | 0.1219 (3) | 0.0794 (4) | 0.8096 (3) | 0.028 (2) | |
C62 | 0.1296 (3) | 0.1677 (4) | 0.8066 (3) | 0.026 (2) | |
C63 | 0.1176 (3) | 0.3695 (3) | 0.8010 (2) | 0.0142 (16) | |
C64 | 0.0485 (2) | 0.3507 (4) | 0.8108 (2) | 0.0197 (14) | |
C65 | 0.0164 (3) | 0.4002 (4) | 0.8511 (2) | 0.0249 (19) | |
C66 | 0.0516 (3) | 0.4681 (4) | 0.8821 (3) | 0.030 (2) | |
C67 | 0.1200 (3) | 0.4878 (4) | 0.8732 (3) | 0.028 (2) | |
C68 | 0.1525 (3) | 0.4379 (4) | 0.8330 (2) | 0.0221 (19) | |
Pt3 | 0.76090 (1) | 0.33169 (1) | 0.24629 (1) | 0.0135 (1) | |
Cl5 | 0.86932 (8) | 0.28920 (10) | 0.21723 (7) | 0.0261 (5) | |
Cl6 | 0.81955 (7) | 0.36542 (9) | 0.35365 (6) | 0.0214 (4) | |
P5 | 0.69155 (7) | 0.30738 (9) | 0.15036 (6) | 0.0143 (5) | |
P6 | 0.65016 (7) | 0.36232 (10) | 0.25495 (6) | 0.0135 (5) | |
N3 | 0.61680 (19) | 0.3459 (3) | 0.17361 (15) | 0.0141 (13) | |
C69 | 0.5426 (3) | 0.3588 (4) | 0.1363 (2) | 0.0175 (18) | |
C70 | 0.5098 (3) | 0.2752 (4) | 0.1104 (3) | 0.027 (2) | |
C71 | 0.4369 (3) | 0.2903 (4) | 0.0653 (3) | 0.034 (2) | |
C72 | 0.4501 (3) | 0.3378 (6) | 0.0045 (2) | 0.046 (3) | |
C73 | 0.4963 (3) | 0.4125 (4) | 0.0209 (3) | 0.035 (2) | |
C74 | 0.5391 (3) | 0.4263 (4) | 0.0824 (3) | 0.0256 (19) | |
C75 | 0.5783 (3) | 0.4989 (4) | 0.0954 (3) | 0.030 (2) | |
C76 | 0.5782 (4) | 0.5590 (4) | 0.0473 (4) | 0.044 (3) | |
C77 | 0.5372 (4) | 0.5463 (6) | −0.0141 (4) | 0.059 (3) | |
C78 | 0.4972 (4) | 0.4764 (5) | −0.0265 (3) | 0.050 (3) | |
C79 | 0.6818 (3) | 0.1976 (4) | 0.1281 (2) | 0.0167 (17) | |
C80 | 0.6575 (3) | 0.1421 (4) | 0.1713 (3) | 0.0217 (19) | |
C81 | 0.6549 (3) | 0.0564 (4) | 0.1594 (3) | 0.029 (2) | |
C82 | 0.6772 (3) | 0.0267 (4) | 0.1045 (3) | 0.030 (2) | |
C83 | 0.7011 (3) | 0.0796 (4) | 0.0615 (3) | 0.029 (2) | |
C84 | 0.7047 (3) | 0.1661 (4) | 0.0736 (3) | 0.0213 (17) | |
C85 | 0.7078 (3) | 0.3636 (4) | 0.0804 (2) | 0.0167 (18) | |
C86 | 0.7626 (3) | 0.4220 (4) | 0.0886 (3) | 0.0228 (19) | |
C87 | 0.7725 (3) | 0.4724 (4) | 0.0365 (3) | 0.031 (2) | |
C88 | 0.7262 (3) | 0.4645 (4) | −0.0239 (3) | 0.029 (2) | |
C89 | 0.6717 (3) | 0.4071 (4) | −0.0325 (3) | 0.026 (2) | |
C90 | 0.6623 (3) | 0.3555 (4) | 0.0187 (2) | 0.0203 (16) | |
C91 | 0.6082 (3) | 0.2915 (4) | 0.3036 (2) | 0.0157 (17) | |
C92 | 0.5344 (3) | 0.2859 (4) | 0.3011 (3) | 0.0249 (19) | |
C93 | 0.5082 (3) | 0.2285 (4) | 0.3400 (3) | 0.034 (3) | |
C94 | 0.5525 (3) | 0.1759 (4) | 0.3816 (3) | 0.034 (2) | |
C95 | 0.6257 (3) | 0.1817 (4) | 0.3849 (3) | 0.038 (3) | |
C96 | 0.6539 (3) | 0.2385 (4) | 0.3471 (3) | 0.0255 (19) | |
C97 | 0.6301 (3) | 0.4692 (3) | 0.2751 (2) | 0.0165 (17) | |
C98 | 0.6773 (3) | 0.5301 (4) | 0.2637 (3) | 0.033 (2) | |
C99 | 0.6652 (3) | 0.6144 (4) | 0.2758 (3) | 0.041 (3) | |
C100 | 0.6063 (3) | 0.6368 (4) | 0.3007 (3) | 0.029 (2) | |
C101 | 0.5601 (4) | 0.5761 (4) | 0.3134 (3) | 0.039 (3) | |
C102 | 0.5715 (3) | 0.4916 (4) | 0.3006 (3) | 0.031 (2) | |
Pt4 | 0.23842 (1) | 0.83716 (2) | 0.24990 (1) | 0.0157 (1) | |
Cl7 | 0.12980 (8) | 0.79129 (11) | 0.27604 (7) | 0.0307 (5) | |
Cl8 | 0.17972 (7) | 0.87803 (10) | 0.14418 (6) | 0.0268 (5) | |
P7 | 0.30760 (7) | 0.80968 (9) | 0.34595 (6) | 0.0147 (5) | |
P8 | 0.34942 (7) | 0.87032 (10) | 0.24329 (6) | 0.0146 (5) | |
N4 | 0.38138 (19) | 0.8523 (3) | 0.32450 (16) | 0.0139 (13) | |
C103 | 0.4538 (3) | 0.8723 (3) | 0.3645 (2) | 0.0171 (17) | |
C104 | 0.4902 (3) | 0.7933 (4) | 0.3965 (3) | 0.0249 (19) | |
C105 | 0.5585 (3) | 0.8176 (4) | 0.4442 (2) | 0.0262 (19) | |
C106 | 0.5406 (3) | 0.8676 (4) | 0.4999 (2) | 0.0284 (19) | |
C107 | 0.4922 (3) | 0.9405 (4) | 0.4772 (3) | 0.0269 (19) | |
C108 | 0.4498 (3) | 0.9431 (4) | 0.4140 (2) | 0.0184 (17) | |
C109 | 0.4056 (3) | 1.0126 (3) | 0.3952 (3) | 0.0224 (17) | |
C110 | 0.4020 (3) | 1.0783 (3) | 0.4392 (3) | 0.029 (2) | |
C111 | 0.4432 (3) | 1.0750 (4) | 0.5014 (3) | 0.037 (3) | |
C112 | 0.4876 (3) | 1.0075 (4) | 0.5197 (3) | 0.033 (2) | |
C113 | 0.3226 (3) | 0.7002 (4) | 0.3646 (3) | 0.0207 (19) | |
C114 | 0.3501 (3) | 0.6505 (4) | 0.3201 (3) | 0.027 (2) | |
C115 | 0.3553 (3) | 0.5645 (4) | 0.3281 (3) | 0.033 (2) | |
C116 | 0.3332 (3) | 0.5270 (4) | 0.3806 (3) | 0.031 (2) | |
C117 | 0.3062 (3) | 0.5735 (4) | 0.4247 (3) | 0.035 (2) | |
C118 | 0.3007 (3) | 0.6615 (4) | 0.4172 (3) | 0.027 (2) | |
C119 | 0.2882 (3) | 0.8617 (4) | 0.4177 (2) | 0.0179 (18) | |
C120 | 0.2306 (3) | 0.9152 (4) | 0.4101 (3) | 0.0237 (17) | |
C121 | 0.2190 (4) | 0.9629 (4) | 0.4635 (3) | 0.039 (3) | |
C122 | 0.2633 (4) | 0.9562 (5) | 0.5232 (3) | 0.045 (3) | |
C123 | 0.3208 (4) | 0.9001 (4) | 0.5314 (3) | 0.039 (2) | |
C124 | 0.3331 (3) | 0.8530 (4) | 0.4789 (2) | 0.0262 (16) | |
C125 | 0.3932 (3) | 0.8001 (4) | 0.1951 (2) | 0.0168 (17) | |
C126 | 0.3491 (3) | 0.7554 (4) | 0.1455 (3) | 0.0229 (19) | |
C127 | 0.3774 (3) | 0.6969 (4) | 0.1084 (3) | 0.030 (2) | |
C128 | 0.4504 (3) | 0.6835 (4) | 0.1201 (3) | 0.034 (2) | |
C129 | 0.4948 (3) | 0.7299 (4) | 0.1674 (3) | 0.028 (2) | |
C130 | 0.4668 (3) | 0.7870 (4) | 0.2058 (3) | 0.0218 (19) | |
C131 | 0.3692 (3) | 0.9767 (4) | 0.2221 (2) | 0.0172 (17) | |
C132 | 0.3151 (3) | 1.0359 (4) | 0.2142 (3) | 0.0244 (19) | |
C133 | 0.3292 (3) | 1.1194 (4) | 0.2022 (3) | 0.029 (2) | |
C134 | 0.3968 (3) | 1.1442 (4) | 0.1985 (3) | 0.034 (2) | |
C135 | 0.4506 (4) | 1.0855 (4) | 0.2048 (3) | 0.039 (3) | |
C136 | 0.4377 (3) | 1.0013 (4) | 0.2163 (3) | 0.031 (2) | |
H1 | 0.00980 | 0.35430 | 0.17240 | 0.0250* | |
H2A | 0.01910 | 0.24420 | 0.10510 | 0.0360* | |
H2B | 0.05250 | 0.30130 | 0.05520 | 0.0360* | |
H3A | −0.09160 | 0.32140 | 0.07510 | 0.0450* | |
H3B | −0.07210 | 0.27160 | 0.01390 | 0.0450* | |
H4A | −0.02730 | 0.39340 | −0.02610 | 0.0460* | |
H4B | −0.10480 | 0.41610 | −0.01290 | 0.0460* | |
H7 | 0.07050 | 0.51380 | 0.19910 | 0.0310* | |
H8 | 0.04530 | 0.65230 | 0.16430 | 0.0420* | |
H9 | −0.02340 | 0.67830 | 0.06020 | 0.0500* | |
H10 | −0.06550 | 0.56640 | −0.00900 | 0.0430* | |
H12 | 0.16460 | 0.21020 | 0.11670 | 0.0310* | |
H13 | 0.18890 | 0.11780 | 0.03670 | 0.0430* | |
H14 | 0.23990 | 0.16550 | −0.04940 | 0.0440* | |
H15 | 0.26920 | 0.30510 | −0.05490 | 0.0440* | |
H16 | 0.25140 | 0.39830 | 0.02710 | 0.0350* | |
H18 | 0.24300 | 0.53110 | 0.20950 | 0.0300* | |
H19 | 0.22930 | 0.67390 | 0.18480 | 0.0350* | |
H20 | 0.17420 | 0.71660 | 0.07930 | 0.0320* | |
H21 | 0.13400 | 0.61560 | −0.00140 | 0.0310* | |
H22 | 0.14200 | 0.47230 | 0.02480 | 0.0250* | |
H24 | 0.22080 | 0.17600 | 0.29370 | 0.0320* | |
H25 | 0.19250 | 0.03450 | 0.30050 | 0.0410* | |
H26 | 0.07780 | −0.01030 | 0.26820 | 0.0450* | |
H27 | −0.01320 | 0.08510 | 0.22910 | 0.0480* | |
H28 | 0.01280 | 0.22890 | 0.22460 | 0.0320* | |
H30 | 0.01990 | 0.32300 | 0.30830 | 0.0270* | |
H31 | −0.02990 | 0.42090 | 0.36860 | 0.0370* | |
H32 | 0.02890 | 0.54570 | 0.40040 | 0.0400* | |
H33 | 0.13980 | 0.57550 | 0.37150 | 0.0410* | |
H34 | 0.19140 | 0.47510 | 0.31320 | 0.0350* | |
H35 | 0.01380 | 0.34630 | 0.67640 | 0.0200* | |
H36A | 0.05430 | 0.24570 | 0.57720 | 0.0270* | |
H36B | 0.01850 | 0.21610 | 0.63690 | 0.0270* | |
H37A | −0.09140 | 0.27980 | 0.58560 | 0.0400* | |
H37B | −0.06780 | 0.20930 | 0.53900 | 0.0400* | |
H38A | −0.02280 | 0.31230 | 0.47660 | 0.0380* | |
H38B | −0.10340 | 0.33690 | 0.47930 | 0.0380* | |
H41 | 0.05280 | 0.50500 | 0.66900 | 0.0300* | |
H42 | 0.01400 | 0.62710 | 0.61050 | 0.0380* | |
H43 | −0.05150 | 0.61520 | 0.50240 | 0.0380* | |
H44 | −0.07990 | 0.48470 | 0.45710 | 0.0340* | |
H46 | 0.28680 | 0.25220 | 0.61170 | 0.0280* | |
H47 | 0.29570 | 0.16150 | 0.52650 | 0.0370* | |
H48 | 0.21240 | 0.16250 | 0.43120 | 0.0400* | |
H49 | 0.11790 | 0.26080 | 0.41780 | 0.0390* | |
H50 | 0.10880 | 0.35290 | 0.50320 | 0.0280* | |
H52 | 0.19810 | 0.52480 | 0.70670 | 0.0280* | |
H53 | 0.18570 | 0.66860 | 0.68220 | 0.0320* | |
H54 | 0.17280 | 0.71430 | 0.57390 | 0.0310* | |
H55 | 0.17200 | 0.61690 | 0.49100 | 0.0290* | |
H56 | 0.17940 | 0.47380 | 0.51320 | 0.0230* | |
H58 | 0.15730 | 0.17820 | 0.65760 | 0.0270* | |
H59 | 0.14200 | 0.03100 | 0.66330 | 0.0360* | |
H60 | 0.11910 | −0.02790 | 0.75960 | 0.0320* | |
H61 | 0.11420 | 0.05390 | 0.84890 | 0.0340* | |
H62 | 0.12710 | 0.20170 | 0.84360 | 0.0310* | |
H64 | 0.02380 | 0.30350 | 0.78950 | 0.0240* | |
H65 | −0.03030 | 0.38720 | 0.85730 | 0.0300* | |
H66 | 0.02930 | 0.50190 | 0.90990 | 0.0350* | |
H67 | 0.14430 | 0.53520 | 0.89460 | 0.0340* | |
H68 | 0.19940 | 0.45110 | 0.82730 | 0.0270* | |
H69 | 0.51380 | 0.38020 | 0.16820 | 0.0210* | |
H70A | 0.50370 | 0.23890 | 0.14750 | 0.0320* | |
H70B | 0.54200 | 0.24610 | 0.08570 | 0.0320* | |
H71A | 0.41310 | 0.23600 | 0.05220 | 0.0410* | |
H71B | 0.40590 | 0.32380 | 0.08840 | 0.0410* | |
H72A | 0.47260 | 0.29910 | −0.02270 | 0.0550* | |
H72B | 0.40360 | 0.35580 | −0.02180 | 0.0550* | |
H75 | 0.60580 | 0.50800 | 0.13810 | 0.0360* | |
H76 | 0.60620 | 0.60840 | 0.05660 | 0.0530* | |
H77 | 0.53710 | 0.58680 | −0.04770 | 0.0710* | |
H78 | 0.46830 | 0.46950 | −0.06880 | 0.0600* | |
H80 | 0.64270 | 0.16350 | 0.20920 | 0.0260* | |
H81 | 0.63810 | 0.01890 | 0.18850 | 0.0350* | |
H82 | 0.67590 | −0.03200 | 0.09620 | 0.0360* | |
H83 | 0.71520 | 0.05760 | 0.02360 | 0.0350* | |
H84 | 0.72260 | 0.20290 | 0.04470 | 0.0260* | |
H86 | 0.79350 | 0.42770 | 0.13000 | 0.0270* | |
H87 | 0.81050 | 0.51180 | 0.04190 | 0.0370* | |
H88 | 0.73240 | 0.49930 | −0.05940 | 0.0350* | |
H89 | 0.64020 | 0.40270 | −0.07380 | 0.0310* | |
H90 | 0.62520 | 0.31470 | 0.01220 | 0.0240* | |
H92 | 0.50260 | 0.32160 | 0.27260 | 0.0300* | |
H93 | 0.45820 | 0.22530 | 0.33800 | 0.0410* | |
H94 | 0.53350 | 0.13620 | 0.40760 | 0.0410* | |
H95 | 0.65690 | 0.14580 | 0.41380 | 0.0460* | |
H96 | 0.70410 | 0.24210 | 0.35030 | 0.0310* | |
H98 | 0.71850 | 0.51450 | 0.24730 | 0.0400* | |
H99 | 0.69740 | 0.65620 | 0.26690 | 0.0490* | |
H100 | 0.59770 | 0.69420 | 0.30900 | 0.0350* | |
H101 | 0.51970 | 0.59160 | 0.33110 | 0.0470* | |
H102 | 0.53910 | 0.44990 | 0.30940 | 0.0370* | |
H10A | 0.50180 | 0.75530 | 0.36240 | 0.0300* | |
H10B | 0.45770 | 0.76330 | 0.42030 | 0.0300* | |
H10C | 0.58500 | 0.76630 | 0.46130 | 0.0320* | |
H10D | 0.58940 | 0.85130 | 0.42100 | 0.0320* | |
H10E | 0.51720 | 0.83030 | 0.52750 | 0.0340* | |
H10F | 0.58530 | 0.88890 | 0.52740 | 0.0340* | |
H103 | 0.48360 | 0.89360 | 0.33350 | 0.0210* | |
H109 | 0.37780 | 1.01520 | 0.35210 | 0.0270* | |
H110 | 0.37130 | 1.12480 | 0.42620 | 0.0340* | |
H111 | 0.44080 | 1.11920 | 0.53160 | 0.0450* | |
H112 | 0.51610 | 1.00640 | 0.56260 | 0.0400* | |
H114 | 0.36550 | 0.67620 | 0.28400 | 0.0320* | |
H115 | 0.37390 | 0.53120 | 0.29750 | 0.0390* | |
H116 | 0.33700 | 0.46780 | 0.38590 | 0.0380* | |
H117 | 0.29120 | 0.54690 | 0.46050 | 0.0420* | |
H118 | 0.28190 | 0.69420 | 0.44800 | 0.0330* | |
H120 | 0.19900 | 0.91970 | 0.36890 | 0.0290* | |
H121 | 0.17970 | 1.00050 | 0.45820 | 0.0470* | |
H122 | 0.25520 | 0.98930 | 0.55900 | 0.0540* | |
H123 | 0.35140 | 0.89440 | 0.57300 | 0.0470* | |
H124 | 0.37190 | 0.81470 | 0.48450 | 0.0320* | |
H126 | 0.29910 | 0.76520 | 0.13700 | 0.0280* | |
H127 | 0.34690 | 0.66600 | 0.07520 | 0.0360* | |
H128 | 0.47000 | 0.64240 | 0.09570 | 0.0400* | |
H129 | 0.54500 | 0.72260 | 0.17360 | 0.0330* | |
H130 | 0.49760 | 0.81710 | 0.23930 | 0.0260* | |
H132 | 0.26810 | 1.01930 | 0.21700 | 0.0290* | |
H133 | 0.29160 | 1.15940 | 0.19650 | 0.0350* | |
H134 | 0.40660 | 1.20170 | 0.19170 | 0.0410* | |
H135 | 0.49730 | 1.10270 | 0.20130 | 0.0470* | |
H136 | 0.47500 | 0.96110 | 0.22010 | 0.0360* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Pt1 | 0.0116 (1) | 0.0162 (2) | 0.0176 (1) | 0.0015 (1) | 0.0008 (1) | −0.0009 (2) |
Cl1 | 0.0156 (8) | 0.0266 (10) | 0.0339 (8) | 0.0010 (7) | 0.0088 (6) | −0.0018 (7) |
Cl2 | 0.0246 (9) | 0.0279 (10) | 0.0233 (7) | 0.0037 (7) | −0.0058 (6) | 0.0034 (6) |
P1 | 0.0156 (8) | 0.0151 (9) | 0.0156 (7) | 0.0002 (6) | 0.0032 (6) | −0.0008 (6) |
P2 | 0.0142 (7) | 0.0191 (10) | 0.0156 (6) | −0.0002 (7) | 0.0029 (5) | 0.0003 (6) |
N1 | 0.012 (2) | 0.020 (3) | 0.0119 (18) | −0.003 (2) | 0.0015 (16) | 0.001 (2) |
C1 | 0.015 (3) | 0.028 (4) | 0.019 (3) | −0.004 (3) | 0.002 (2) | −0.005 (2) |
C2 | 0.020 (3) | 0.036 (4) | 0.031 (3) | −0.004 (3) | −0.001 (3) | −0.011 (3) |
C3 | 0.025 (3) | 0.064 (5) | 0.021 (3) | −0.005 (3) | −0.003 (2) | −0.011 (3) |
C4 | 0.023 (4) | 0.072 (5) | 0.017 (3) | 0.002 (3) | −0.005 (3) | −0.006 (3) |
C5 | 0.014 (3) | 0.053 (4) | 0.025 (3) | 0.006 (3) | 0.011 (2) | 0.008 (3) |
C6 | 0.009 (3) | 0.041 (4) | 0.015 (3) | 0.002 (3) | 0.003 (2) | 0.002 (3) |
C7 | 0.020 (3) | 0.032 (4) | 0.027 (3) | 0.007 (3) | 0.005 (3) | 0.002 (3) |
C8 | 0.026 (4) | 0.032 (4) | 0.053 (4) | 0.002 (3) | 0.019 (3) | −0.002 (3) |
C9 | 0.034 (4) | 0.034 (4) | 0.061 (5) | 0.015 (3) | 0.022 (4) | 0.024 (4) |
C10 | 0.021 (4) | 0.053 (5) | 0.033 (4) | 0.011 (3) | 0.006 (3) | 0.017 (3) |
C11 | 0.018 (3) | 0.023 (4) | 0.022 (3) | 0.000 (3) | 0.008 (2) | −0.005 (2) |
C12 | 0.020 (3) | 0.028 (3) | 0.030 (3) | 0.001 (3) | 0.006 (3) | −0.011 (3) |
C13 | 0.027 (4) | 0.024 (4) | 0.055 (4) | −0.004 (3) | 0.005 (3) | −0.019 (3) |
C14 | 0.037 (4) | 0.035 (5) | 0.042 (4) | −0.002 (3) | 0.019 (3) | −0.023 (3) |
C15 | 0.035 (4) | 0.053 (5) | 0.027 (3) | 0.006 (3) | 0.017 (3) | −0.007 (3) |
C16 | 0.029 (3) | 0.031 (3) | 0.030 (3) | 0.004 (3) | 0.011 (2) | −0.008 (3) |
C17 | 0.015 (3) | 0.014 (3) | 0.025 (3) | 0.000 (3) | 0.004 (2) | 0.000 (2) |
C18 | 0.023 (3) | 0.032 (4) | 0.019 (3) | 0.000 (3) | 0.000 (2) | 0.002 (3) |
C19 | 0.029 (4) | 0.022 (4) | 0.034 (3) | −0.009 (3) | 0.002 (3) | −0.002 (3) |
C20 | 0.019 (4) | 0.019 (4) | 0.041 (4) | −0.002 (3) | 0.000 (3) | 0.006 (3) |
C21 | 0.030 (4) | 0.029 (4) | 0.019 (3) | −0.001 (3) | 0.005 (3) | 0.005 (3) |
C22 | 0.022 (3) | 0.022 (3) | 0.019 (3) | −0.002 (3) | 0.009 (2) | −0.001 (2) |
C23 | 0.022 (3) | 0.018 (3) | 0.019 (3) | 0.004 (3) | 0.002 (2) | 0.000 (2) |
C24 | 0.026 (4) | 0.026 (4) | 0.030 (3) | −0.001 (3) | 0.010 (3) | 0.001 (3) |
C25 | 0.036 (4) | 0.016 (4) | 0.053 (4) | 0.006 (3) | 0.013 (3) | 0.009 (3) |
C26 | 0.049 (5) | 0.018 (4) | 0.052 (4) | −0.002 (3) | 0.023 (4) | 0.009 (3) |
C27 | 0.042 (4) | 0.041 (4) | 0.040 (4) | −0.023 (3) | 0.013 (3) | −0.004 (3) |
C28 | 0.025 (3) | 0.023 (3) | 0.031 (3) | −0.006 (3) | 0.004 (3) | −0.001 (3) |
C29 | 0.021 (3) | 0.023 (4) | 0.010 (3) | 0.006 (3) | 0.004 (2) | 0.004 (2) |
C30 | 0.018 (3) | 0.028 (4) | 0.022 (3) | 0.001 (3) | 0.003 (2) | 0.004 (2) |
C31 | 0.019 (3) | 0.046 (5) | 0.030 (3) | 0.002 (3) | 0.010 (3) | −0.005 (3) |
C32 | 0.033 (4) | 0.039 (5) | 0.033 (4) | 0.006 (3) | 0.014 (3) | −0.014 (3) |
C33 | 0.036 (4) | 0.039 (4) | 0.027 (3) | −0.007 (3) | 0.008 (3) | −0.018 (3) |
C34 | 0.021 (3) | 0.040 (4) | 0.026 (3) | −0.007 (3) | 0.004 (3) | −0.015 (3) |
Pt2 | 0.0113 (1) | 0.0183 (1) | 0.0136 (1) | 0.0008 (1) | 0.0015 (1) | −0.0025 (1) |
Cl3 | 0.0144 (8) | 0.0434 (11) | 0.0273 (8) | −0.0037 (7) | 0.0069 (6) | −0.0002 (7) |
Cl4 | 0.0216 (8) | 0.0397 (10) | 0.0157 (6) | 0.0071 (7) | 0.0004 (6) | −0.0003 (6) |
P3 | 0.0137 (8) | 0.0159 (9) | 0.0126 (6) | −0.0005 (6) | 0.0019 (6) | −0.0017 (6) |
P4 | 0.0136 (7) | 0.0154 (9) | 0.0121 (6) | −0.0006 (6) | 0.0017 (5) | −0.0016 (5) |
N2 | 0.011 (2) | 0.021 (3) | 0.0103 (17) | 0.002 (3) | 0.0003 (15) | 0.000 (3) |
C35 | 0.010 (2) | 0.025 (3) | 0.014 (2) | −0.007 (3) | −0.0009 (18) | 0.001 (3) |
C36 | 0.019 (4) | 0.025 (4) | 0.022 (4) | −0.006 (3) | −0.003 (3) | −0.001 (3) |
C37 | 0.028 (4) | 0.032 (4) | 0.036 (4) | −0.011 (3) | −0.006 (3) | 0.000 (3) |
C38 | 0.025 (3) | 0.040 (4) | 0.025 (3) | 0.005 (3) | −0.006 (2) | −0.001 (3) |
C39 | 0.016 (3) | 0.029 (4) | 0.020 (3) | 0.005 (3) | 0.003 (2) | 0.000 (3) |
C40 | 0.013 (3) | 0.023 (4) | 0.017 (3) | 0.004 (3) | 0.004 (3) | 0.003 (3) |
C41 | 0.017 (3) | 0.035 (4) | 0.024 (3) | −0.003 (3) | 0.006 (2) | −0.005 (3) |
C42 | 0.024 (3) | 0.019 (4) | 0.056 (4) | 0.007 (3) | 0.018 (3) | 0.002 (3) |
C43 | 0.027 (4) | 0.029 (4) | 0.041 (4) | 0.017 (3) | 0.015 (3) | 0.018 (3) |
C44 | 0.019 (3) | 0.044 (4) | 0.024 (3) | 0.008 (3) | 0.006 (2) | 0.010 (3) |
C45 | 0.015 (3) | 0.015 (3) | 0.011 (2) | 0.000 (2) | 0.000 (2) | −0.001 (2) |
C46 | 0.021 (3) | 0.030 (4) | 0.018 (3) | −0.002 (3) | 0.001 (2) | −0.003 (2) |
C47 | 0.033 (4) | 0.034 (4) | 0.027 (3) | 0.004 (3) | 0.008 (3) | −0.009 (3) |
C48 | 0.050 (5) | 0.025 (4) | 0.032 (4) | −0.004 (3) | 0.022 (3) | −0.012 (3) |
C49 | 0.050 (4) | 0.034 (4) | 0.012 (3) | −0.012 (3) | 0.001 (3) | −0.004 (3) |
C50 | 0.031 (3) | 0.019 (3) | 0.020 (3) | −0.003 (3) | 0.006 (2) | −0.001 (2) |
C51 | 0.015 (3) | 0.015 (3) | 0.019 (3) | −0.002 (3) | 0.005 (2) | −0.002 (2) |
C52 | 0.029 (4) | 0.020 (3) | 0.021 (3) | 0.001 (3) | 0.002 (3) | 0.002 (2) |
C53 | 0.035 (4) | 0.015 (3) | 0.028 (3) | −0.005 (3) | 0.006 (3) | −0.009 (3) |
C54 | 0.027 (4) | 0.019 (4) | 0.031 (3) | 0.005 (3) | 0.002 (3) | 0.005 (3) |
C55 | 0.023 (3) | 0.024 (3) | 0.023 (3) | 0.002 (3) | 0.001 (3) | 0.007 (3) |
C56 | 0.020 (3) | 0.022 (3) | 0.014 (3) | 0.003 (3) | 0.003 (2) | −0.003 (2) |
C57 | 0.013 (3) | 0.016 (3) | 0.016 (3) | 0.000 (2) | −0.003 (2) | 0.003 (2) |
C58 | 0.023 (3) | 0.025 (3) | 0.020 (3) | 0.000 (2) | 0.005 (2) | −0.001 (2) |
C59 | 0.026 (3) | 0.022 (3) | 0.039 (4) | 0.001 (3) | −0.001 (3) | −0.002 (3) |
C60 | 0.023 (3) | 0.019 (3) | 0.037 (4) | 0.003 (3) | 0.005 (3) | 0.007 (3) |
C61 | 0.025 (4) | 0.025 (4) | 0.037 (4) | 0.006 (3) | 0.011 (3) | 0.011 (3) |
C62 | 0.032 (4) | 0.024 (4) | 0.025 (3) | 0.004 (3) | 0.015 (3) | 0.001 (3) |
C63 | 0.014 (3) | 0.018 (3) | 0.009 (2) | 0.001 (2) | −0.002 (2) | 0.002 (2) |
C64 | 0.014 (2) | 0.029 (3) | 0.015 (2) | 0.001 (3) | 0.0002 (18) | −0.002 (3) |
C65 | 0.016 (3) | 0.044 (4) | 0.015 (3) | 0.001 (3) | 0.004 (2) | −0.006 (3) |
C66 | 0.029 (4) | 0.039 (4) | 0.025 (3) | 0.010 (3) | 0.015 (3) | −0.008 (3) |
C67 | 0.032 (4) | 0.031 (4) | 0.023 (3) | −0.007 (3) | 0.007 (3) | −0.013 (3) |
C68 | 0.021 (3) | 0.033 (4) | 0.013 (3) | −0.004 (3) | 0.005 (2) | −0.005 (2) |
Pt3 | 0.0106 (1) | 0.0142 (2) | 0.0150 (1) | 0.0001 (1) | 0.0008 (1) | 0.0016 (1) |
Cl5 | 0.0151 (8) | 0.0319 (10) | 0.0328 (8) | 0.0058 (7) | 0.0081 (7) | 0.0012 (7) |
Cl6 | 0.0210 (7) | 0.0243 (9) | 0.0163 (6) | −0.0045 (6) | −0.0030 (5) | 0.0024 (6) |
P5 | 0.0129 (8) | 0.0148 (9) | 0.0147 (7) | 0.0005 (6) | 0.0018 (6) | 0.0008 (6) |
P6 | 0.0107 (7) | 0.0153 (10) | 0.0142 (6) | 0.0028 (6) | 0.0016 (5) | 0.0007 (6) |
N3 | 0.011 (2) | 0.019 (3) | 0.0113 (17) | 0.000 (3) | −0.0001 (15) | 0.003 (3) |
C69 | 0.012 (3) | 0.027 (4) | 0.012 (2) | 0.005 (3) | −0.001 (2) | 0.002 (2) |
C70 | 0.022 (4) | 0.026 (4) | 0.029 (3) | −0.003 (3) | −0.006 (3) | −0.004 (3) |
C71 | 0.016 (3) | 0.052 (5) | 0.030 (3) | −0.007 (3) | −0.005 (3) | −0.008 (3) |
C72 | 0.019 (3) | 0.093 (7) | 0.022 (3) | 0.003 (5) | −0.005 (2) | 0.001 (5) |
C73 | 0.024 (4) | 0.058 (5) | 0.023 (3) | 0.012 (3) | 0.006 (3) | 0.014 (3) |
C74 | 0.020 (3) | 0.032 (4) | 0.027 (3) | 0.008 (3) | 0.010 (3) | 0.012 (3) |
C75 | 0.030 (4) | 0.023 (4) | 0.040 (4) | 0.013 (3) | 0.013 (3) | 0.009 (3) |
C76 | 0.045 (5) | 0.028 (4) | 0.067 (5) | 0.015 (3) | 0.032 (4) | 0.022 (4) |
C77 | 0.047 (5) | 0.073 (6) | 0.061 (5) | 0.021 (5) | 0.020 (4) | 0.046 (5) |
C78 | 0.029 (4) | 0.091 (7) | 0.030 (4) | 0.024 (4) | 0.003 (3) | 0.029 (4) |
C79 | 0.011 (3) | 0.016 (3) | 0.021 (3) | 0.000 (3) | −0.002 (2) | −0.002 (2) |
C80 | 0.020 (3) | 0.022 (4) | 0.023 (3) | −0.001 (3) | 0.004 (3) | 0.005 (3) |
C81 | 0.025 (4) | 0.019 (4) | 0.041 (4) | −0.001 (3) | 0.004 (3) | 0.007 (3) |
C82 | 0.019 (4) | 0.015 (4) | 0.052 (4) | 0.004 (3) | −0.001 (3) | −0.003 (3) |
C83 | 0.030 (4) | 0.024 (4) | 0.032 (4) | 0.007 (3) | 0.004 (3) | −0.010 (3) |
C84 | 0.022 (3) | 0.016 (3) | 0.024 (3) | 0.002 (3) | 0.000 (3) | 0.004 (2) |
C85 | 0.019 (3) | 0.016 (4) | 0.016 (2) | 0.002 (3) | 0.006 (2) | 0.001 (2) |
C86 | 0.023 (3) | 0.023 (4) | 0.021 (3) | 0.002 (3) | 0.001 (3) | 0.004 (3) |
C87 | 0.031 (4) | 0.029 (4) | 0.033 (4) | −0.008 (3) | 0.010 (3) | 0.010 (3) |
C88 | 0.042 (4) | 0.030 (4) | 0.019 (3) | 0.001 (3) | 0.014 (3) | 0.015 (3) |
C89 | 0.040 (4) | 0.024 (4) | 0.014 (3) | 0.005 (3) | 0.007 (3) | 0.002 (2) |
C90 | 0.027 (3) | 0.013 (3) | 0.021 (2) | 0.001 (3) | 0.005 (2) | −0.003 (3) |
C91 | 0.013 (3) | 0.015 (3) | 0.019 (3) | −0.005 (2) | 0.003 (2) | −0.002 (2) |
C92 | 0.023 (3) | 0.025 (4) | 0.026 (3) | 0.001 (3) | 0.003 (3) | 0.002 (3) |
C93 | 0.018 (4) | 0.047 (5) | 0.039 (4) | −0.011 (3) | 0.012 (3) | 0.004 (3) |
C94 | 0.027 (4) | 0.047 (5) | 0.029 (3) | −0.008 (3) | 0.008 (3) | 0.017 (3) |
C95 | 0.030 (4) | 0.048 (5) | 0.036 (4) | −0.002 (3) | 0.004 (3) | 0.023 (3) |
C96 | 0.016 (3) | 0.030 (4) | 0.030 (3) | 0.000 (3) | 0.003 (3) | 0.010 (3) |
C97 | 0.021 (3) | 0.013 (3) | 0.013 (3) | 0.003 (3) | −0.003 (2) | −0.002 (2) |
C98 | 0.016 (3) | 0.024 (4) | 0.064 (5) | 0.004 (3) | 0.018 (3) | −0.006 (3) |
C99 | 0.030 (4) | 0.024 (4) | 0.070 (5) | −0.007 (3) | 0.013 (4) | −0.010 (3) |
C100 | 0.029 (4) | 0.016 (4) | 0.038 (4) | 0.003 (3) | −0.002 (3) | −0.009 (3) |
C101 | 0.045 (5) | 0.033 (5) | 0.044 (4) | 0.015 (3) | 0.022 (4) | −0.005 (3) |
C102 | 0.040 (4) | 0.018 (3) | 0.039 (4) | −0.001 (3) | 0.020 (3) | −0.002 (3) |
Pt4 | 0.0110 (1) | 0.0182 (2) | 0.0174 (1) | −0.0002 (1) | 0.0014 (1) | 0.0005 (1) |
Cl7 | 0.0155 (8) | 0.0448 (12) | 0.0320 (8) | −0.0070 (8) | 0.0052 (7) | 0.0046 (8) |
Cl8 | 0.0191 (8) | 0.0388 (11) | 0.0201 (7) | 0.0017 (7) | −0.0020 (6) | 0.0041 (6) |
P7 | 0.0145 (8) | 0.0135 (9) | 0.0161 (7) | −0.0007 (6) | 0.0030 (6) | 0.0006 (6) |
P8 | 0.0110 (7) | 0.0176 (10) | 0.0148 (6) | −0.0006 (6) | 0.0018 (6) | 0.0001 (6) |
N4 | 0.016 (2) | 0.016 (3) | 0.0103 (17) | −0.003 (2) | 0.0042 (16) | 0.001 (2) |
C103 | 0.017 (3) | 0.019 (3) | 0.016 (3) | −0.001 (2) | 0.005 (2) | 0.000 (2) |
C104 | 0.030 (4) | 0.021 (3) | 0.022 (3) | 0.004 (3) | 0.001 (3) | −0.003 (2) |
C105 | 0.017 (3) | 0.033 (4) | 0.025 (3) | 0.006 (3) | −0.005 (2) | 0.003 (3) |
C106 | 0.023 (3) | 0.036 (4) | 0.023 (3) | 0.000 (3) | −0.003 (2) | −0.004 (3) |
C107 | 0.021 (3) | 0.038 (4) | 0.022 (3) | −0.007 (3) | 0.005 (3) | −0.008 (3) |
C108 | 0.015 (3) | 0.024 (3) | 0.018 (3) | −0.010 (3) | 0.008 (2) | −0.005 (2) |
C109 | 0.025 (3) | 0.018 (3) | 0.023 (3) | −0.003 (3) | 0.002 (2) | −0.003 (2) |
C110 | 0.031 (4) | 0.016 (4) | 0.042 (4) | −0.003 (3) | 0.015 (3) | −0.005 (3) |
C111 | 0.038 (4) | 0.035 (5) | 0.038 (4) | −0.011 (3) | 0.007 (3) | −0.024 (3) |
C112 | 0.023 (4) | 0.052 (5) | 0.024 (3) | −0.010 (3) | 0.004 (3) | −0.015 (3) |
C113 | 0.013 (3) | 0.020 (4) | 0.026 (3) | −0.003 (3) | −0.004 (2) | 0.002 (3) |
C114 | 0.034 (4) | 0.019 (4) | 0.025 (3) | 0.004 (3) | 0.000 (3) | −0.003 (3) |
C115 | 0.036 (4) | 0.020 (3) | 0.036 (4) | 0.004 (3) | −0.008 (3) | −0.007 (3) |
C116 | 0.030 (4) | 0.013 (3) | 0.043 (4) | −0.006 (3) | −0.012 (3) | 0.007 (3) |
C117 | 0.033 (4) | 0.029 (4) | 0.043 (4) | −0.003 (3) | 0.006 (3) | 0.012 (3) |
C118 | 0.022 (4) | 0.030 (4) | 0.032 (4) | −0.005 (3) | 0.010 (3) | 0.001 (3) |
C119 | 0.024 (3) | 0.015 (4) | 0.018 (2) | −0.005 (3) | 0.012 (2) | 0.000 (2) |
C120 | 0.022 (3) | 0.020 (3) | 0.031 (3) | −0.001 (3) | 0.010 (3) | 0.001 (3) |
C121 | 0.041 (4) | 0.025 (4) | 0.062 (5) | −0.003 (3) | 0.038 (4) | −0.004 (3) |
C122 | 0.073 (6) | 0.036 (5) | 0.037 (4) | −0.014 (4) | 0.035 (4) | −0.008 (3) |
C123 | 0.062 (5) | 0.040 (4) | 0.020 (3) | −0.012 (4) | 0.019 (3) | −0.004 (3) |
C124 | 0.034 (3) | 0.027 (3) | 0.019 (2) | −0.006 (3) | 0.009 (2) | 0.002 (3) |
C125 | 0.015 (3) | 0.017 (3) | 0.017 (3) | −0.001 (3) | 0.000 (2) | 0.003 (2) |
C126 | 0.017 (3) | 0.027 (4) | 0.024 (3) | 0.003 (3) | 0.002 (3) | −0.002 (3) |
C127 | 0.037 (4) | 0.027 (4) | 0.021 (3) | 0.004 (3) | −0.005 (3) | −0.004 (3) |
C128 | 0.039 (4) | 0.038 (5) | 0.027 (3) | 0.005 (4) | 0.015 (3) | −0.004 (3) |
C129 | 0.022 (4) | 0.029 (4) | 0.035 (4) | 0.002 (3) | 0.011 (3) | −0.004 (3) |
C130 | 0.013 (3) | 0.028 (4) | 0.023 (3) | 0.001 (3) | 0.000 (2) | −0.005 (3) |
C131 | 0.019 (3) | 0.022 (3) | 0.011 (3) | −0.003 (3) | 0.004 (2) | 0.000 (2) |
C132 | 0.019 (3) | 0.027 (4) | 0.027 (3) | 0.004 (3) | 0.004 (3) | −0.002 (3) |
C133 | 0.030 (4) | 0.018 (4) | 0.038 (4) | 0.009 (3) | 0.005 (3) | 0.007 (3) |
C134 | 0.037 (4) | 0.023 (4) | 0.045 (4) | −0.009 (3) | 0.013 (3) | 0.007 (3) |
C135 | 0.030 (4) | 0.030 (4) | 0.064 (5) | −0.007 (3) | 0.024 (4) | 0.008 (3) |
C136 | 0.024 (3) | 0.029 (4) | 0.042 (4) | 0.008 (3) | 0.014 (3) | 0.002 (3) |
Geometric parameters (Å, º) top
Pt1—Cl1 | 2.3580 (16) | C43—H43 | 0.9500 |
Pt1—Cl2 | 2.3613 (15) | C44—H44 | 0.9500 |
Pt1—P1 | 2.2061 (15) | C46—H46 | 0.9500 |
Pt1—P2 | 2.2087 (14) | C47—H47 | 0.9500 |
Pt2—Cl3 | 2.3644 (14) | C48—H48 | 0.9500 |
Pt2—Cl4 | 2.3521 (13) | C49—H49 | 0.9500 |
Pt2—P3 | 2.2171 (13) | C50—H50 | 0.9500 |
Pt2—P4 | 2.1964 (14) | C52—H52 | 0.9500 |
Pt3—Cl5 | 2.3673 (16) | C53—H53 | 0.9500 |
Pt3—Cl6 | 2.3577 (13) | C54—H54 | 0.9500 |
Pt3—P6 | 2.2128 (14) | C55—H55 | 0.9500 |
Pt3—P5 | 2.2040 (13) | C56—H56 | 0.9500 |
Pt4—P8 | 2.2158 (14) | C58—H58 | 0.9500 |
Pt4—Cl8 | 2.3575 (13) | C59—H59 | 0.9500 |
Pt4—Cl7 | 2.3617 (16) | C60—H60 | 0.9500 |
Pt4—P7 | 2.2142 (13) | C61—H61 | 0.9500 |
P1—C11 | 1.801 (5) | C62—H62 | 0.9500 |
P1—N1 | 1.710 (4) | C64—H64 | 0.9500 |
P1—C17 | 1.802 (7) | C65—H65 | 0.9500 |
P2—N1 | 1.709 (4) | C66—H66 | 0.9500 |
P2—C23 | 1.810 (6) | C67—H67 | 0.9500 |
P2—C29 | 1.816 (6) | C68—H68 | 0.9500 |
P3—N2 | 1.714 (4) | C69—C74 | 1.545 (8) |
P3—C45 | 1.815 (5) | C69—C70 | 1.524 (9) |
P3—C51 | 1.801 (6) | C70—C71 | 1.539 (8) |
P4—N2 | 1.711 (4) | C71—C72 | 1.537 (9) |
P4—C57 | 1.797 (5) | C72—C73 | 1.481 (10) |
P4—C63 | 1.793 (5) | C73—C74 | 1.395 (9) |
P5—C79 | 1.808 (6) | C73—C78 | 1.419 (10) |
P5—C85 | 1.787 (5) | C74—C75 | 1.375 (9) |
P5—N3 | 1.709 (4) | C75—C76 | 1.384 (10) |
P6—N3 | 1.708 (3) | C76—C77 | 1.377 (11) |
P6—C91 | 1.804 (6) | C77—C78 | 1.346 (12) |
P6—C97 | 1.811 (5) | C79—C80 | 1.403 (8) |
P7—N4 | 1.701 (4) | C79—C84 | 1.387 (8) |
P7—C113 | 1.796 (7) | C80—C81 | 1.386 (9) |
P7—C119 | 1.808 (5) | C81—C82 | 1.379 (9) |
P8—C131 | 1.808 (6) | C82—C83 | 1.371 (9) |
P8—N4 | 1.705 (4) | C83—C84 | 1.399 (9) |
P8—C125 | 1.812 (6) | C85—C90 | 1.409 (6) |
N1—C1 | 1.495 (7) | C85—C86 | 1.386 (9) |
N2—C35 | 1.500 (5) | C86—C87 | 1.391 (9) |
N3—C69 | 1.492 (6) | C87—C88 | 1.394 (9) |
N4—C103 | 1.503 (6) | C88—C89 | 1.371 (9) |
C1—C2 | 1.526 (8) | C89—C90 | 1.385 (8) |
C1—C6 | 1.532 (9) | C91—C92 | 1.404 (8) |
C2—C3 | 1.529 (8) | C91—C96 | 1.409 (8) |
C3—C4 | 1.532 (9) | C92—C93 | 1.378 (9) |
C4—C5 | 1.516 (9) | C93—C94 | 1.371 (9) |
C5—C6 | 1.413 (9) | C94—C95 | 1.390 (8) |
C5—C10 | 1.399 (10) | C95—C96 | 1.376 (9) |
C6—C7 | 1.387 (9) | C97—C102 | 1.377 (8) |
C7—C8 | 1.395 (9) | C97—C98 | 1.376 (8) |
C8—C9 | 1.387 (9) | C98—C99 | 1.393 (9) |
C9—C10 | 1.392 (10) | C99—C100 | 1.375 (8) |
C11—C16 | 1.389 (7) | C100—C101 | 1.369 (9) |
C11—C12 | 1.388 (9) | C101—C102 | 1.397 (9) |
C12—C13 | 1.389 (9) | C69—H69 | 1.0000 |
C13—C14 | 1.384 (9) | C70—H70B | 0.9900 |
C14—C15 | 1.350 (9) | C70—H70A | 0.9900 |
C15—C16 | 1.394 (8) | C71—H71A | 0.9900 |
C17—C22 | 1.406 (9) | C71—H71B | 0.9900 |
C17—C18 | 1.377 (9) | C72—H72B | 0.9900 |
C18—C19 | 1.386 (9) | C72—H72A | 0.9900 |
C19—C20 | 1.390 (9) | C75—H75 | 0.9500 |
C20—C21 | 1.394 (9) | C76—H76 | 0.9500 |
C21—C22 | 1.389 (9) | C77—H77 | 0.9500 |
C23—C28 | 1.402 (8) | C78—H78 | 0.9500 |
C23—C24 | 1.376 (9) | C80—H80 | 0.9500 |
C24—C25 | 1.388 (9) | C81—H81 | 0.9500 |
C25—C26 | 1.334 (11) | C82—H82 | 0.9500 |
C26—C27 | 1.387 (10) | C83—H83 | 0.9500 |
C27—C28 | 1.391 (9) | C84—H84 | 0.9500 |
C29—C30 | 1.395 (8) | C86—H86 | 0.9500 |
C29—C34 | 1.393 (9) | C87—H87 | 0.9500 |
C30—C31 | 1.369 (8) | C88—H88 | 0.9500 |
C31—C32 | 1.373 (9) | C89—H89 | 0.9500 |
C32—C33 | 1.408 (8) | C90—H90 | 0.9500 |
C33—C34 | 1.379 (9) | C92—H92 | 0.9500 |
C1—H1 | 1.0000 | C93—H93 | 0.9500 |
C2—H2A | 0.9900 | C94—H94 | 0.9500 |
C2—H2B | 0.9900 | C95—H95 | 0.9500 |
C3—H3A | 0.9900 | C96—H96 | 0.9500 |
C3—H3B | 0.9900 | C98—H98 | 0.9500 |
C4—H4A | 0.9900 | C99—H99 | 0.9500 |
C4—H4B | 0.9900 | C100—H100 | 0.9500 |
C7—H7 | 0.9500 | C101—H101 | 0.9500 |
C8—H8 | 0.9500 | C102—H102 | 0.9500 |
C9—H9 | 0.9500 | C103—C104 | 1.526 (8) |
C10—H10 | 0.9500 | C103—C108 | 1.539 (7) |
C12—H12 | 0.9500 | C104—C105 | 1.527 (8) |
C13—H13 | 0.9500 | C105—C106 | 1.500 (7) |
C14—H14 | 0.9500 | C106—C107 | 1.501 (9) |
C15—H15 | 0.9500 | C107—C108 | 1.404 (8) |
C16—H16 | 0.9500 | C107—C112 | 1.399 (9) |
C18—H18 | 0.9500 | C108—C109 | 1.400 (8) |
C19—H19 | 0.9500 | C109—C110 | 1.401 (8) |
C20—H20 | 0.9500 | C110—C111 | 1.378 (9) |
C21—H21 | 0.9500 | C111—C112 | 1.376 (9) |
C22—H22 | 0.9500 | C113—C114 | 1.396 (9) |
C24—H24 | 0.9500 | C113—C118 | 1.390 (9) |
C25—H25 | 0.9500 | C114—C115 | 1.380 (9) |
C26—H26 | 0.9500 | C115—C116 | 1.382 (9) |
C27—H27 | 0.9500 | C116—C117 | 1.357 (9) |
C28—H28 | 0.9500 | C117—C118 | 1.411 (9) |
C30—H30 | 0.9500 | C119—C120 | 1.376 (9) |
C31—H31 | 0.9500 | C119—C124 | 1.397 (6) |
C32—H32 | 0.9500 | C120—C121 | 1.399 (9) |
C33—H33 | 0.9500 | C121—C122 | 1.364 (9) |
C34—H34 | 0.9500 | C122—C123 | 1.400 (11) |
C35—C36 | 1.539 (9) | C123—C124 | 1.383 (8) |
C35—C40 | 1.512 (8) | C125—C126 | 1.394 (8) |
C36—C37 | 1.523 (8) | C125—C130 | 1.396 (8) |
C37—C38 | 1.536 (8) | C126—C127 | 1.385 (9) |
C38—C39 | 1.489 (9) | C127—C128 | 1.385 (8) |
C39—C40 | 1.397 (9) | C128—C129 | 1.381 (9) |
C39—C44 | 1.397 (9) | C129—C130 | 1.385 (9) |
C40—C41 | 1.397 (9) | C131—C132 | 1.385 (9) |
C41—C42 | 1.383 (8) | C131—C136 | 1.394 (8) |
C42—C43 | 1.399 (9) | C132—C133 | 1.389 (9) |
C43—C44 | 1.368 (9) | C133—C134 | 1.367 (8) |
C45—C46 | 1.367 (8) | C134—C135 | 1.376 (9) |
C45—C50 | 1.393 (7) | C135—C136 | 1.392 (9) |
C46—C47 | 1.384 (9) | C103—H103 | 1.0000 |
C47—C48 | 1.341 (9) | C104—H10A | 0.9900 |
C48—C49 | 1.405 (9) | C104—H10B | 0.9900 |
C49—C50 | 1.384 (8) | C105—H10C | 0.9900 |
C51—C52 | 1.388 (8) | C105—H10D | 0.9900 |
C51—C56 | 1.393 (6) | C106—H10E | 0.9900 |
C52—C53 | 1.396 (9) | C106—H10F | 0.9900 |
C53—C54 | 1.381 (9) | C109—H109 | 0.9500 |
C54—C55 | 1.374 (9) | C110—H110 | 0.9500 |
C55—C56 | 1.379 (9) | C111—H111 | 0.9500 |
C57—C62 | 1.381 (8) | C112—H112 | 0.9500 |
C57—C58 | 1.384 (7) | C114—H114 | 0.9500 |
C58—C59 | 1.410 (8) | C115—H115 | 0.9500 |
C59—C60 | 1.381 (9) | C116—H116 | 0.9500 |
C60—C61 | 1.350 (9) | C117—H117 | 0.9500 |
C61—C62 | 1.416 (9) | C118—H118 | 0.9500 |
C63—C64 | 1.407 (7) | C120—H120 | 0.9500 |
C63—C68 | 1.378 (8) | C121—H121 | 0.9500 |
C64—C65 | 1.379 (7) | C122—H122 | 0.9500 |
C65—C66 | 1.367 (9) | C123—H123 | 0.9500 |
C66—C67 | 1.391 (8) | C124—H124 | 0.9500 |
C67—C68 | 1.386 (8) | C126—H126 | 0.9500 |
C35—H35 | 1.0000 | C127—H127 | 0.9500 |
C36—H36A | 0.9900 | C128—H128 | 0.9500 |
C36—H36B | 0.9900 | C129—H129 | 0.9500 |
C37—H37A | 0.9900 | C130—H130 | 0.9500 |
C37—H37B | 0.9900 | C132—H132 | 0.9500 |
C38—H38A | 0.9900 | C133—H133 | 0.9500 |
C38—H38B | 0.9900 | C134—H134 | 0.9500 |
C41—H41 | 0.9500 | C135—H135 | 0.9500 |
C42—H42 | 0.9500 | C136—H136 | 0.9500 |
| | | |
Cl1—Pt1—Cl2 | 92.22 (5) | C43—C44—H44 | 119.00 |
Cl1—Pt1—P1 | 95.80 (5) | C39—C44—H44 | 119.00 |
Cl1—Pt1—P2 | 168.00 (5) | C45—C46—H46 | 120.00 |
Cl2—Pt1—P1 | 171.79 (6) | C47—C46—H46 | 120.00 |
Cl2—Pt1—P2 | 99.71 (5) | C46—C47—H47 | 119.00 |
P1—Pt1—P2 | 72.33 (5) | C48—C47—H47 | 119.00 |
P3—Pt2—P4 | 72.37 (5) | C47—C48—H48 | 120.00 |
Cl3—Pt2—P4 | 171.03 (5) | C49—C48—H48 | 120.00 |
Cl3—Pt2—Cl4 | 91.34 (5) | C48—C49—H49 | 120.00 |
Cl3—Pt2—P3 | 98.72 (5) | C50—C49—H49 | 120.00 |
Cl4—Pt2—P3 | 169.94 (5) | C45—C50—H50 | 120.00 |
Cl4—Pt2—P4 | 97.57 (5) | C49—C50—H50 | 120.00 |
P5—Pt3—P6 | 72.38 (5) | C51—C52—H52 | 120.00 |
Cl5—Pt3—P5 | 96.88 (5) | C53—C52—H52 | 120.00 |
Cl5—Pt3—P6 | 169.18 (5) | C54—C53—H53 | 120.00 |
Cl5—Pt3—Cl6 | 91.69 (5) | C52—C53—H53 | 120.00 |
Cl6—Pt3—P6 | 99.07 (5) | C53—C54—H54 | 120.00 |
Cl6—Pt3—P5 | 171.42 (5) | C55—C54—H54 | 120.00 |
Cl8—Pt4—P8 | 99.38 (5) | C56—C55—H55 | 119.00 |
P7—Pt4—P8 | 72.14 (5) | C54—C55—H55 | 119.00 |
Cl7—Pt4—Cl8 | 91.21 (5) | C55—C56—H56 | 120.00 |
Cl7—Pt4—P7 | 97.32 (5) | C51—C56—H56 | 120.00 |
Cl7—Pt4—P8 | 169.36 (5) | C57—C58—H58 | 120.00 |
Cl8—Pt4—P7 | 171.26 (5) | C59—C58—H58 | 120.00 |
C11—P1—C17 | 108.8 (3) | C58—C59—H59 | 121.00 |
N1—P1—C17 | 109.9 (3) | C60—C59—H59 | 121.00 |
Pt1—P1—C11 | 114.52 (19) | C61—C60—H60 | 119.00 |
Pt1—P1—N1 | 94.20 (14) | C59—C60—H60 | 119.00 |
N1—P1—C11 | 110.2 (2) | C62—C61—H61 | 120.00 |
Pt1—P1—C17 | 118.2 (2) | C60—C61—H61 | 120.00 |
Pt1—P2—C29 | 118.2 (2) | C61—C62—H62 | 121.00 |
Pt1—P2—N1 | 94.14 (14) | C57—C62—H62 | 120.00 |
C23—P2—C29 | 109.4 (3) | C65—C64—H64 | 120.00 |
N1—P2—C29 | 106.7 (2) | C63—C64—H64 | 120.00 |
Pt1—P2—C23 | 117.4 (2) | C64—C65—H65 | 120.00 |
N1—P2—C23 | 109.1 (2) | C66—C65—H65 | 120.00 |
Pt2—P3—C45 | 117.23 (17) | C65—C66—H66 | 120.00 |
N2—P3—C45 | 109.5 (2) | C67—C66—H66 | 120.00 |
Pt2—P3—N2 | 93.75 (12) | C66—C67—H67 | 120.00 |
N2—P3—C51 | 110.6 (2) | C68—C67—H67 | 120.00 |
C45—P3—C51 | 109.3 (2) | C67—C68—H68 | 120.00 |
Pt2—P3—C51 | 115.27 (16) | C63—C68—H68 | 120.00 |
Pt2—P4—N2 | 94.58 (14) | N3—C69—C70 | 110.3 (5) |
Pt2—P4—C57 | 115.7 (2) | N3—C69—C74 | 112.1 (5) |
C57—P4—C63 | 108.7 (2) | C70—C69—C74 | 113.2 (4) |
Pt2—P4—C63 | 119.44 (19) | C69—C70—C71 | 109.9 (5) |
N2—P4—C57 | 109.5 (2) | C70—C71—C72 | 107.7 (5) |
N2—P4—C63 | 107.4 (2) | C71—C72—C73 | 113.1 (4) |
Pt3—P5—C79 | 114.54 (16) | C72—C73—C78 | 120.2 (5) |
Pt3—P5—C85 | 118.73 (19) | C72—C73—C74 | 123.7 (5) |
Pt3—P5—N3 | 93.92 (12) | C74—C73—C78 | 116.1 (6) |
N3—P5—C85 | 109.8 (2) | C73—C74—C75 | 120.8 (6) |
N3—P5—C79 | 111.7 (2) | C69—C74—C73 | 119.4 (5) |
C79—P5—C85 | 107.5 (2) | C69—C74—C75 | 119.8 (5) |
Pt3—P6—N3 | 93.62 (14) | C74—C75—C76 | 121.0 (6) |
C91—P6—C97 | 108.6 (3) | C75—C76—C77 | 119.3 (7) |
Pt3—P6—C97 | 118.4 (2) | C76—C77—C78 | 119.9 (8) |
N3—P6—C97 | 108.6 (2) | C73—C78—C77 | 122.9 (6) |
Pt3—P6—C91 | 116.4 (2) | C80—C79—C84 | 119.6 (6) |
N3—P6—C91 | 109.9 (2) | P5—C79—C80 | 118.4 (4) |
N4—P7—C113 | 109.8 (3) | P5—C79—C84 | 121.7 (4) |
Pt4—P7—C119 | 118.21 (19) | C79—C80—C81 | 120.7 (6) |
C113—P7—C119 | 108.4 (3) | C80—C81—C82 | 118.7 (6) |
Pt4—P7—C113 | 115.4 (2) | C81—C82—C83 | 121.8 (6) |
Pt4—P7—N4 | 93.64 (13) | C82—C83—C84 | 119.9 (6) |
N4—P7—C119 | 110.4 (2) | C79—C84—C83 | 119.4 (6) |
C125—P8—C131 | 107.6 (3) | C86—C85—C90 | 119.4 (5) |
Pt4—P8—C125 | 116.0 (2) | P5—C85—C90 | 121.5 (5) |
Pt4—P8—N4 | 93.45 (14) | P5—C85—C86 | 118.9 (4) |
N4—P8—C125 | 109.3 (2) | C85—C86—C87 | 120.4 (5) |
Pt4—P8—C131 | 119.1 (2) | C86—C87—C88 | 119.5 (6) |
N4—P8—C131 | 110.4 (2) | C87—C88—C89 | 120.7 (6) |
P1—N1—C1 | 133.0 (3) | C88—C89—C90 | 120.3 (6) |
P2—N1—C1 | 127.6 (3) | C85—C90—C89 | 119.8 (6) |
P1—N1—P2 | 99.3 (2) | P6—C91—C96 | 116.6 (4) |
P4—N2—C35 | 125.9 (3) | C92—C91—C96 | 118.5 (5) |
P3—N2—C35 | 134.8 (3) | P6—C91—C92 | 124.9 (4) |
P3—N2—P4 | 99.09 (19) | C91—C92—C93 | 119.9 (5) |
P6—N3—C69 | 128.9 (3) | C92—C93—C94 | 121.7 (6) |
P5—N3—P6 | 99.49 (19) | C93—C94—C95 | 118.8 (6) |
P5—N3—C69 | 131.6 (3) | C94—C95—C96 | 121.2 (6) |
P8—N4—C103 | 128.8 (3) | C91—C96—C95 | 119.9 (5) |
P7—N4—P8 | 99.9 (2) | C98—C97—C102 | 119.6 (5) |
P7—N4—C103 | 131.3 (3) | P6—C97—C98 | 116.5 (4) |
N1—C1—C2 | 110.6 (5) | P6—C97—C102 | 123.9 (4) |
C2—C1—C6 | 114.4 (4) | C97—C98—C99 | 120.7 (5) |
N1—C1—C6 | 112.3 (5) | C98—C99—C100 | 119.7 (6) |
C1—C2—C3 | 110.3 (5) | C99—C100—C101 | 119.7 (6) |
C2—C3—C4 | 108.4 (5) | C100—C101—C102 | 120.8 (6) |
C3—C4—C5 | 112.6 (5) | C97—C102—C101 | 119.5 (6) |
C4—C5—C6 | 121.9 (6) | C74—C69—H69 | 107.00 |
C4—C5—C10 | 119.6 (5) | N3—C69—H69 | 107.00 |
C6—C5—C10 | 118.5 (6) | C70—C69—H69 | 107.00 |
C1—C6—C5 | 120.0 (5) | H70A—C70—H70B | 108.00 |
C5—C6—C7 | 119.7 (6) | C69—C70—H70A | 110.00 |
C1—C6—C7 | 120.3 (5) | C69—C70—H70B | 110.00 |
C6—C7—C8 | 121.0 (6) | C71—C70—H70A | 110.00 |
C7—C8—C9 | 119.6 (6) | C71—C70—H70B | 110.00 |
C8—C9—C10 | 119.9 (6) | C70—C71—H71B | 110.00 |
C5—C10—C9 | 121.1 (6) | C72—C71—H71A | 110.00 |
C12—C11—C16 | 119.3 (5) | C70—C71—H71A | 110.00 |
P1—C11—C16 | 122.9 (5) | C72—C71—H71B | 110.00 |
P1—C11—C12 | 117.5 (4) | H71A—C71—H71B | 109.00 |
C11—C12—C13 | 118.9 (5) | H72A—C72—H72B | 108.00 |
C12—C13—C14 | 121.5 (6) | C73—C72—H72A | 109.00 |
C13—C14—C15 | 119.3 (6) | C73—C72—H72B | 109.00 |
C14—C15—C16 | 120.6 (6) | C71—C72—H72A | 109.00 |
C11—C16—C15 | 120.3 (6) | C71—C72—H72B | 109.00 |
P1—C17—C18 | 117.9 (5) | C74—C75—H75 | 119.00 |
C18—C17—C22 | 120.4 (6) | C76—C75—H75 | 120.00 |
P1—C17—C22 | 121.4 (5) | C77—C76—H76 | 120.00 |
C17—C18—C19 | 120.5 (6) | C75—C76—H76 | 120.00 |
C18—C19—C20 | 120.0 (6) | C76—C77—H77 | 120.00 |
C19—C20—C21 | 119.7 (6) | C78—C77—H77 | 120.00 |
C20—C21—C22 | 120.7 (6) | C73—C78—H78 | 119.00 |
C17—C22—C21 | 118.8 (6) | C77—C78—H78 | 119.00 |
P2—C23—C28 | 123.3 (5) | C81—C80—H80 | 120.00 |
C24—C23—C28 | 118.6 (6) | C79—C80—H80 | 120.00 |
P2—C23—C24 | 118.1 (4) | C80—C81—H81 | 121.00 |
C23—C24—C25 | 121.1 (6) | C82—C81—H81 | 121.00 |
C24—C25—C26 | 120.4 (6) | C81—C82—H82 | 119.00 |
C25—C26—C27 | 120.6 (6) | C83—C82—H82 | 119.00 |
C26—C27—C28 | 120.0 (7) | C84—C83—H83 | 120.00 |
C23—C28—C27 | 119.3 (6) | C82—C83—H83 | 120.00 |
C30—C29—C34 | 120.1 (5) | C79—C84—H84 | 120.00 |
P2—C29—C30 | 123.4 (5) | C83—C84—H84 | 120.00 |
P2—C29—C34 | 116.4 (4) | C85—C86—H86 | 120.00 |
C29—C30—C31 | 119.9 (6) | C87—C86—H86 | 120.00 |
C30—C31—C32 | 120.1 (6) | C88—C87—H87 | 120.00 |
C31—C32—C33 | 121.1 (6) | C86—C87—H87 | 120.00 |
C32—C33—C34 | 118.6 (6) | C89—C88—H88 | 120.00 |
C29—C34—C33 | 120.2 (5) | C87—C88—H88 | 120.00 |
N1—C1—H1 | 106.00 | C88—C89—H89 | 120.00 |
C2—C1—H1 | 106.00 | C90—C89—H89 | 120.00 |
C6—C1—H1 | 106.00 | C85—C90—H90 | 120.00 |
H2A—C2—H2B | 108.00 | C89—C90—H90 | 120.00 |
C1—C2—H2A | 110.00 | C93—C92—H92 | 120.00 |
C1—C2—H2B | 110.00 | C91—C92—H92 | 120.00 |
C3—C2—H2B | 110.00 | C94—C93—H93 | 119.00 |
C3—C2—H2A | 110.00 | C92—C93—H93 | 119.00 |
C2—C3—H3A | 110.00 | C93—C94—H94 | 121.00 |
C4—C3—H3A | 110.00 | C95—C94—H94 | 121.00 |
C4—C3—H3B | 110.00 | C94—C95—H95 | 119.00 |
C2—C3—H3B | 110.00 | C96—C95—H95 | 119.00 |
H3A—C3—H3B | 108.00 | C91—C96—H96 | 120.00 |
C5—C4—H4B | 109.00 | C95—C96—H96 | 120.00 |
C3—C4—H4A | 109.00 | C97—C98—H98 | 120.00 |
C3—C4—H4B | 109.00 | C99—C98—H98 | 120.00 |
C5—C4—H4A | 109.00 | C98—C99—H99 | 120.00 |
H4A—C4—H4B | 108.00 | C100—C99—H99 | 120.00 |
C8—C7—H7 | 119.00 | C101—C100—H100 | 120.00 |
C6—C7—H7 | 120.00 | C99—C100—H100 | 120.00 |
C9—C8—H8 | 120.00 | C100—C101—H101 | 120.00 |
C7—C8—H8 | 120.00 | C102—C101—H101 | 120.00 |
C8—C9—H9 | 120.00 | C101—C102—H102 | 120.00 |
C10—C9—H9 | 120.00 | C97—C102—H102 | 120.00 |
C5—C10—H10 | 120.00 | N4—C103—C104 | 111.0 (4) |
C9—C10—H10 | 119.00 | N4—C103—C108 | 111.4 (4) |
C13—C12—H12 | 120.00 | C104—C103—C108 | 112.9 (4) |
C11—C12—H12 | 121.00 | C103—C104—C105 | 109.5 (5) |
C12—C13—H13 | 119.00 | C104—C105—C106 | 110.0 (5) |
C14—C13—H13 | 119.00 | C105—C106—C107 | 112.7 (4) |
C15—C14—H14 | 120.00 | C106—C107—C108 | 121.7 (5) |
C13—C14—H14 | 120.00 | C106—C107—C112 | 120.1 (5) |
C16—C15—H15 | 120.00 | C108—C107—C112 | 118.3 (6) |
C14—C15—H15 | 120.00 | C103—C108—C107 | 120.7 (5) |
C11—C16—H16 | 120.00 | C103—C108—C109 | 119.8 (4) |
C15—C16—H16 | 120.00 | C107—C108—C109 | 119.4 (5) |
C19—C18—H18 | 120.00 | C108—C109—C110 | 120.7 (5) |
C17—C18—H18 | 120.00 | C109—C110—C111 | 119.6 (5) |
C20—C19—H19 | 120.00 | C110—C111—C112 | 119.9 (6) |
C18—C19—H19 | 120.00 | C107—C112—C111 | 122.1 (6) |
C21—C20—H20 | 120.00 | P7—C113—C114 | 118.1 (5) |
C19—C20—H20 | 120.00 | P7—C113—C118 | 122.7 (5) |
C20—C21—H21 | 120.00 | C114—C113—C118 | 118.8 (6) |
C22—C21—H21 | 120.00 | C113—C114—C115 | 120.6 (6) |
C17—C22—H22 | 121.00 | C114—C115—C116 | 119.9 (6) |
C21—C22—H22 | 121.00 | C115—C116—C117 | 121.0 (6) |
C25—C24—H24 | 119.00 | C116—C117—C118 | 119.8 (6) |
C23—C24—H24 | 119.00 | C113—C118—C117 | 120.0 (6) |
C24—C25—H25 | 120.00 | P7—C119—C120 | 118.5 (4) |
C26—C25—H25 | 120.00 | P7—C119—C124 | 121.3 (5) |
C27—C26—H26 | 120.00 | C120—C119—C124 | 120.1 (5) |
C25—C26—H26 | 120.00 | C119—C120—C121 | 119.5 (6) |
C26—C27—H27 | 120.00 | C120—C121—C122 | 121.0 (7) |
C28—C27—H27 | 120.00 | C121—C122—C123 | 119.6 (6) |
C27—C28—H28 | 120.00 | C122—C123—C124 | 120.0 (6) |
C23—C28—H28 | 120.00 | C119—C124—C123 | 119.9 (6) |
C31—C30—H30 | 120.00 | P8—C125—C126 | 116.6 (4) |
C29—C30—H30 | 120.00 | P8—C125—C130 | 124.3 (4) |
C32—C31—H31 | 120.00 | C126—C125—C130 | 119.1 (5) |
C30—C31—H31 | 120.00 | C125—C126—C127 | 120.7 (5) |
C31—C32—H32 | 119.00 | C126—C127—C128 | 119.7 (6) |
C33—C32—H32 | 120.00 | C127—C128—C129 | 120.0 (6) |
C34—C33—H33 | 121.00 | C128—C129—C130 | 120.6 (5) |
C32—C33—H33 | 121.00 | C125—C130—C129 | 119.8 (5) |
C29—C34—H34 | 120.00 | P8—C131—C132 | 118.7 (4) |
C33—C34—H34 | 120.00 | P8—C131—C136 | 121.9 (5) |
C36—C35—C40 | 114.7 (4) | C132—C131—C136 | 119.4 (6) |
N2—C35—C36 | 110.5 (4) | C131—C132—C133 | 120.4 (5) |
N2—C35—C40 | 113.2 (4) | C132—C133—C134 | 120.4 (6) |
C35—C36—C37 | 110.9 (5) | C133—C134—C135 | 119.7 (6) |
C36—C37—C38 | 109.5 (5) | C134—C135—C136 | 121.1 (7) |
C37—C38—C39 | 111.7 (4) | C131—C136—C135 | 119.1 (6) |
C38—C39—C40 | 121.5 (5) | N4—C103—H103 | 107.00 |
C40—C39—C44 | 117.8 (6) | C104—C103—H103 | 107.00 |
C38—C39—C44 | 120.5 (5) | C108—C103—H103 | 107.00 |
C39—C40—C41 | 119.9 (6) | C103—C104—H10A | 110.00 |
C35—C40—C39 | 121.9 (5) | C103—C104—H10B | 110.00 |
C35—C40—C41 | 118.2 (5) | C105—C104—H10A | 110.00 |
C40—C41—C42 | 121.3 (6) | C105—C104—H10B | 110.00 |
C41—C42—C43 | 118.6 (5) | H10A—C104—H10B | 108.00 |
C42—C43—C44 | 120.1 (6) | C104—C105—H10C | 110.00 |
C39—C44—C43 | 122.2 (6) | C104—C105—H10D | 110.00 |
P3—C45—C46 | 118.2 (4) | C106—C105—H10C | 110.00 |
P3—C45—C50 | 122.5 (4) | C106—C105—H10D | 110.00 |
C46—C45—C50 | 119.2 (5) | H10C—C105—H10D | 108.00 |
C45—C46—C47 | 120.5 (5) | C105—C106—H10E | 109.00 |
C46—C47—C48 | 121.3 (6) | C105—C106—H10F | 109.00 |
C47—C48—C49 | 119.4 (6) | C107—C106—H10E | 109.00 |
C48—C49—C50 | 119.7 (5) | C107—C106—H10F | 109.00 |
C45—C50—C49 | 120.0 (5) | H10E—C106—H10F | 108.00 |
P3—C51—C56 | 124.5 (4) | C108—C109—H109 | 120.00 |
P3—C51—C52 | 115.9 (4) | C110—C109—H109 | 120.00 |
C52—C51—C56 | 119.6 (6) | C109—C110—H110 | 120.00 |
C51—C52—C53 | 119.9 (6) | C111—C110—H110 | 120.00 |
C52—C53—C54 | 120.2 (6) | C110—C111—H111 | 120.00 |
C53—C54—C55 | 119.2 (6) | C112—C111—H111 | 120.00 |
C54—C55—C56 | 121.7 (5) | C107—C112—H112 | 119.00 |
C51—C56—C55 | 119.4 (5) | C111—C112—H112 | 119.00 |
P4—C57—C62 | 122.5 (4) | C113—C114—H114 | 120.00 |
P4—C57—C58 | 117.2 (4) | C115—C114—H114 | 120.00 |
C58—C57—C62 | 120.0 (5) | C114—C115—H115 | 120.00 |
C57—C58—C59 | 120.3 (5) | C116—C115—H115 | 120.00 |
C58—C59—C60 | 118.7 (6) | C115—C116—H116 | 119.00 |
C59—C60—C61 | 121.4 (6) | C117—C116—H116 | 120.00 |
C60—C61—C62 | 120.5 (6) | C116—C117—H117 | 120.00 |
C57—C62—C61 | 119.1 (5) | C118—C117—H117 | 120.00 |
P4—C63—C64 | 121.9 (4) | C113—C118—H118 | 120.00 |
C64—C63—C68 | 118.5 (5) | C117—C118—H118 | 120.00 |
P4—C63—C68 | 119.3 (4) | C119—C120—H120 | 120.00 |
C63—C64—C65 | 120.5 (5) | C121—C120—H120 | 120.00 |
C64—C65—C66 | 120.2 (5) | C120—C121—H121 | 120.00 |
C65—C66—C67 | 120.3 (6) | C122—C121—H121 | 119.00 |
C66—C67—C68 | 119.7 (6) | C121—C122—H122 | 120.00 |
C63—C68—C67 | 120.9 (5) | C123—C122—H122 | 120.00 |
C40—C35—H35 | 106.00 | C122—C123—H123 | 120.00 |
C36—C35—H35 | 106.00 | C124—C123—H123 | 120.00 |
N2—C35—H35 | 106.00 | C119—C124—H124 | 120.00 |
C35—C36—H36B | 110.00 | C123—C124—H124 | 120.00 |
C35—C36—H36A | 109.00 | C125—C126—H126 | 120.00 |
H36A—C36—H36B | 108.00 | C127—C126—H126 | 120.00 |
C37—C36—H36A | 110.00 | C126—C127—H127 | 120.00 |
C37—C36—H36B | 109.00 | C128—C127—H127 | 120.00 |
C38—C37—H37A | 110.00 | C127—C128—H128 | 120.00 |
C36—C37—H37A | 110.00 | C129—C128—H128 | 120.00 |
C36—C37—H37B | 110.00 | C128—C129—H129 | 120.00 |
C38—C37—H37B | 110.00 | C130—C129—H129 | 120.00 |
H37A—C37—H37B | 108.00 | C125—C130—H130 | 120.00 |
C37—C38—H38B | 109.00 | C129—C130—H130 | 120.00 |
C39—C38—H38A | 109.00 | C131—C132—H132 | 120.00 |
C39—C38—H38B | 109.00 | C133—C132—H132 | 120.00 |
H38A—C38—H38B | 108.00 | C132—C133—H133 | 120.00 |
C37—C38—H38A | 109.00 | C134—C133—H133 | 120.00 |
C40—C41—H41 | 119.00 | C133—C134—H134 | 120.00 |
C42—C41—H41 | 119.00 | C135—C134—H134 | 120.00 |
C43—C42—H42 | 121.00 | C134—C135—H135 | 120.00 |
C41—C42—H42 | 121.00 | C136—C135—H135 | 119.00 |
C44—C43—H43 | 120.00 | C131—C136—H136 | 120.00 |
C42—C43—H43 | 120.00 | C135—C136—H136 | 121.00 |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
C15—H15···Cl4i | 0.95 | 2.72 | 3.635 (6) | 162 |
C24—H24···Cl2 | 0.95 | 2.78 | 3.626 (6) | 149 |
C38—H38B···Cl6ii | 0.99 | 2.78 | 3.624 (5) | 144 |
C54—H54···Cl6iii | 0.95 | 2.83 | 3.573 (6) | 136 |
C59—H59···Cl6iv | 0.95 | 2.78 | 3.518 (6) | 136 |
C92—H92···Cl1 | 0.95 | 2.77 | 3.658 (6) | 155 |
C116—H116···Cl2 | 0.95 | 2.80 | 3.689 (7) | 156 |
C130—H130···Cl3iii | 0.95 | 2.82 | 3.706 (6) | 155 |
Symmetry codes: (i) x, y, z−1; (ii) x−1, y, z; (iii) −x+1, y+1/2, −z+1; (iv) −x+1, y−1/2, −z+1. |