Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804022937/bv6000sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536804022937/bv6000IIsup2.hkl |
CCDC reference: 252780
Key indicators
- Single-crystal X-ray study
- T = 150 K
- Mean (C-C) = 0.003 Å
- R factor = 0.018
- wR factor = 0.041
- Data-to-parameter ratio = 19.0
checkCIF/PLATON results
No syntax errors found
Alert level B PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.93 Ratio
Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.37 Ratio PLAT331_ALERT_2_C Small Average Phenyl C-C Dist. C49 -C54 1.37 Ang.
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 3 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 1 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 1 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: COLLECT (Nonius, 1998); cell refinement: DENZO (Otwinowski & Minor, 1997); data reduction: DENZO; program(s) used to solve structure: DIRDIF (Beurskens et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON (Spek, 2003); software used to prepare material for publication: PLATON.
[Pt(C3H6O3)(C21H26N2)(C18H15P)]·2C6D6 | Z = 2 |
Mr = 1022.11 | F(000) = 1028 |
Triclinic, P1 | Quoted _cell_measurement_* data items refer to the initial cell determination. The cell parameters as reported in _cell_* are based on the complete data set. |
Hall symbol: -P 1 | Dx = 1.461 Mg m−3 |
a = 11.5582 (10) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 12.6032 (10) Å | Cell parameters from 574 reflections |
c = 17.605 (2) Å | θ = 2.0–25.0° |
α = 69.96 (3)° | µ = 3.10 mm−1 |
β = 86.70 (4)° | T = 150 K |
γ = 74.80 (3)° | Block, colourless |
V = 2323.5 (7) Å3 | 0.25 × 0.25 × 0.15 mm |
Nonius KappaCCD area-detector diffractometer | 10600 independent reflections |
Radiation source: Rotating Anode | 9970 reflections with I2σ(I) |
Graphite monochromator | Rint = 0.041 |
Detector resolution: 18.4 pixels mm-1 | θmax = 27.5°, θmin = 1.2° |
φ scans and ω scans with κ offset | h = −14→14 |
Absorption correction: multi-scan PLATON/MULABS (Spek, 2003) | k = −16→16 |
Tmin = 0.494, Tmax = 0.629 | l = −22→22 |
57354 measured reflections |
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)] = 0.018 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.041 | H-atom parameters not refined |
S = 1.07 | w = 1/[σ2(Fo2) + (0.0131P)2 + 1.2P] where P = (Fo2 + 2Fc2)/3 |
10600 reflections | (Δ/σ)max = 0.001 |
558 parameters | Δρmax = 1.12 e Å−3 |
0 restraints | Δρmin = −0.83 e Å−3 |
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. |
x | y | z | Uiso*/Ueq | ||
Pt1 | 0.19139 (1) | 0.11162 (1) | 0.21289 (1) | 0.0155 (1) | |
P1 | 0.19795 (4) | −0.06938 (4) | 0.29939 (3) | 0.0167 (1) | |
O1 | 0.18000 (12) | 0.16419 (11) | 0.31018 (8) | 0.0213 (4) | |
O2 | 0.20546 (12) | 0.33197 (11) | 0.21161 (8) | 0.0227 (4) | |
O3 | 0.17583 (12) | 0.28307 (11) | 0.15109 (8) | 0.0211 (4) | |
N1 | 0.13165 (14) | 0.12918 (14) | 0.04770 (10) | 0.0237 (5) | |
N2 | 0.30967 (13) | 0.01205 (14) | 0.08714 (9) | 0.0206 (5) | |
C1 | 0.21225 (15) | 0.07994 (15) | 0.11004 (11) | 0.0172 (5) | |
C2 | 0.16762 (18) | 0.0797 (2) | −0.01771 (13) | 0.0330 (7) | |
C3 | 0.30100 (18) | 0.02642 (19) | 0.00086 (12) | 0.0287 (6) | |
C4 | 0.02205 (16) | 0.22184 (17) | 0.03557 (11) | 0.0222 (5) | |
C5 | −0.08421 (17) | 0.19856 (17) | 0.07069 (12) | 0.0227 (6) | |
C6 | −0.08794 (18) | 0.08252 (18) | 0.13176 (14) | 0.0320 (7) | |
C7 | −0.18963 (17) | 0.28843 (18) | 0.04808 (12) | 0.0263 (6) | |
C8 | −0.19155 (18) | 0.39836 (18) | −0.00682 (12) | 0.0272 (6) | |
C9 | −0.30834 (19) | 0.4921 (2) | −0.03076 (15) | 0.0383 (7) | |
C10 | −0.08380 (18) | 0.41958 (18) | −0.03866 (12) | 0.0278 (6) | |
C11 | 0.02360 (17) | 0.33250 (18) | −0.01836 (12) | 0.0252 (6) | |
C12 | 0.13828 (19) | 0.3602 (2) | −0.05479 (14) | 0.0358 (7) | |
C13 | 0.42590 (16) | −0.03469 (17) | 0.12816 (11) | 0.0218 (5) | |
C14 | 0.48765 (17) | 0.04085 (18) | 0.13938 (11) | 0.0249 (6) | |
C15 | 0.44340 (18) | 0.17181 (18) | 0.10358 (14) | 0.0302 (7) | |
C16 | 0.59778 (18) | −0.0084 (2) | 0.18217 (13) | 0.0343 (7) | |
C17 | 0.6492 (2) | −0.1282 (2) | 0.21008 (14) | 0.0418 (8) | |
C18 | 0.7667 (2) | −0.1794 (3) | 0.25923 (17) | 0.0676 (10) | |
C19 | 0.5908 (2) | −0.1988 (2) | 0.19125 (14) | 0.0407 (7) | |
C20 | 0.48014 (18) | −0.15456 (18) | 0.14916 (13) | 0.0299 (6) | |
C21 | 0.4279 (2) | −0.23556 (19) | 0.12406 (16) | 0.0418 (8) | |
C22 | 0.21817 (16) | −0.19515 (15) | 0.26597 (11) | 0.0198 (5) | |
C23 | 0.14515 (19) | −0.18346 (18) | 0.20212 (13) | 0.0296 (6) | |
C24 | 0.1435 (2) | −0.27897 (19) | 0.18006 (14) | 0.0336 (7) | |
C25 | 0.2164 (2) | −0.38795 (17) | 0.22188 (13) | 0.0306 (7) | |
C26 | 0.2903 (2) | −0.40036 (18) | 0.28465 (14) | 0.0331 (7) | |
C27 | 0.29210 (19) | −0.30476 (17) | 0.30702 (13) | 0.0282 (6) | |
C28 | 0.31383 (16) | −0.11180 (15) | 0.37796 (11) | 0.0193 (5) | |
C29 | 0.41245 (18) | −0.06451 (18) | 0.35970 (13) | 0.0285 (6) | |
C30 | 0.4986 (2) | −0.0886 (2) | 0.41906 (15) | 0.0375 (7) | |
C31 | 0.4871 (2) | −0.15977 (19) | 0.49729 (14) | 0.0350 (7) | |
C32 | 0.39157 (19) | −0.20960 (19) | 0.51602 (12) | 0.0309 (6) | |
C33 | 0.30498 (18) | −0.18578 (17) | 0.45626 (12) | 0.0254 (6) | |
C34 | 0.06105 (16) | −0.07838 (16) | 0.35730 (11) | 0.0209 (5) | |
C35 | 0.01782 (19) | −0.17749 (19) | 0.38206 (13) | 0.0321 (7) | |
C36 | −0.0820 (2) | −0.1820 (2) | 0.43036 (14) | 0.0396 (8) | |
C37 | −0.13938 (19) | −0.0880 (2) | 0.45351 (13) | 0.0368 (7) | |
C38 | −0.0976 (2) | 0.0104 (2) | 0.42873 (14) | 0.0392 (7) | |
C39 | 0.00209 (19) | 0.01602 (18) | 0.38090 (13) | 0.0311 (7) | |
C40 | 0.1874 (2) | 0.32672 (19) | 0.34606 (13) | 0.0337 (7) | |
C41 | 0.14411 (17) | 0.28543 (16) | 0.28342 (12) | 0.0230 (6) | |
C42 | 0.00918 (19) | 0.33310 (19) | 0.26663 (14) | 0.0346 (7) | |
C43 | 0.4867 (2) | 0.3457 (2) | 0.22866 (15) | 0.0404 (8) | |
C44 | 0.5267 (2) | 0.2300 (2) | 0.27523 (15) | 0.0393 (8) | |
C45 | 0.6479 (2) | 0.1797 (2) | 0.29104 (14) | 0.0398 (8) | |
C46 | 0.7292 (2) | 0.2444 (2) | 0.26045 (15) | 0.0394 (8) | |
C47 | 0.6905 (2) | 0.3607 (2) | 0.21396 (16) | 0.0425 (8) | |
C48 | 0.5686 (2) | 0.4116 (2) | 0.19811 (16) | 0.0432 (8) | |
C49 | 0.1827 (2) | 0.4898 (2) | 0.51178 (17) | 0.0508 (9) | |
C50 | 0.1565 (3) | 0.5467 (3) | 0.56686 (19) | 0.0592 (10) | |
C51 | 0.2447 (2) | 0.5382 (2) | 0.61953 (18) | 0.0528 (10) | |
C52 | 0.3583 (2) | 0.4726 (2) | 0.61781 (17) | 0.0463 (9) | |
C53 | 0.3842 (3) | 0.4154 (3) | 0.56218 (19) | 0.0599 (11) | |
C54 | 0.2962 (3) | 0.4242 (3) | 0.50956 (17) | 0.0548 (10) | |
H2A | 0.15200 | 0.14140 | −0.07170 | 0.0400* | |
H2B | 0.12550 | 0.01960 | −0.01500 | 0.0400* | |
H3A | 0.32780 | −0.04970 | −0.00790 | 0.0340* | |
H3B | 0.34860 | 0.07950 | −0.03230 | 0.0340* | |
H6A | −0.04440 | 0.07010 | 0.18150 | 0.0480* | |
H6B | −0.05030 | 0.02020 | 0.11000 | 0.0480* | |
H6C | −0.17150 | 0.08130 | 0.14370 | 0.0480* | |
H7 | −0.26270 | 0.27370 | 0.07110 | 0.0320* | |
H9A | −0.36450 | 0.46460 | −0.05430 | 0.0580* | |
H9B | −0.29340 | 0.56310 | −0.07070 | 0.0580* | |
H9C | −0.34280 | 0.50940 | 0.01720 | 0.0580* | |
H10 | −0.08330 | 0.49520 | −0.07510 | 0.0330* | |
H12A | 0.16270 | 0.32360 | −0.09610 | 0.0540* | |
H12B | 0.20150 | 0.32990 | −0.01230 | 0.0540* | |
H12C | 0.12500 | 0.44510 | −0.07960 | 0.0540* | |
H15A | 0.40470 | 0.19330 | 0.05040 | 0.0450* | |
H15B | 0.51130 | 0.20670 | 0.09760 | 0.0450* | |
H15C | 0.38540 | 0.20070 | 0.13940 | 0.0450* | |
H16 | 0.63890 | 0.04170 | 0.19250 | 0.0410* | |
H18A | 0.79970 | −0.11590 | 0.26060 | 0.1010* | |
H18B | 0.82380 | −0.22920 | 0.23430 | 0.1010* | |
H18C | 0.75260 | −0.22610 | 0.31450 | 0.1010* | |
H19 | 0.62710 | −0.28050 | 0.20750 | 0.0490* | |
H21A | 0.34050 | −0.20540 | 0.11780 | 0.0630* | |
H21B | 0.44830 | −0.31350 | 0.16550 | 0.0630* | |
H21C | 0.46090 | −0.24050 | 0.07250 | 0.0630* | |
H23 | 0.09530 | −0.10870 | 0.17290 | 0.0350* | |
H24 | 0.09250 | −0.26940 | 0.13640 | 0.0400* | |
H25 | 0.21550 | −0.45380 | 0.20740 | 0.0370* | |
H26 | 0.34090 | −0.47510 | 0.31310 | 0.0400* | |
H27 | 0.34390 | −0.31460 | 0.35030 | 0.0340* | |
H29 | 0.42070 | −0.01540 | 0.30610 | 0.0340* | |
H30 | 0.56570 | −0.05620 | 0.40600 | 0.0450* | |
H31 | 0.54510 | −0.17430 | 0.53820 | 0.0420* | |
H32 | 0.38480 | −0.26000 | 0.56940 | 0.0370* | |
H33 | 0.23940 | −0.22040 | 0.46920 | 0.0300* | |
H35 | 0.05640 | −0.24250 | 0.36600 | 0.0380* | |
H36 | −0.11060 | −0.25040 | 0.44740 | 0.0470* | |
H37 | −0.20740 | −0.09130 | 0.48640 | 0.0440* | |
H38 | −0.13730 | 0.07550 | 0.44440 | 0.0470* | |
H39 | 0.03010 | 0.08470 | 0.36420 | 0.0370* | |
H40A | 0.15580 | 0.29100 | 0.39890 | 0.0510* | |
H40B | 0.15890 | 0.41200 | 0.32970 | 0.0510* | |
H40C | 0.27530 | 0.30360 | 0.34980 | 0.0510* | |
H42A | −0.01460 | 0.30870 | 0.22400 | 0.0520* | |
H42B | −0.01180 | 0.41870 | 0.24900 | 0.0520* | |
H42C | −0.03280 | 0.30260 | 0.31610 | 0.0520* | |
D43 | 0.40330 | 0.38050 | 0.21740 | 0.0480* | |
D44 | 0.47090 | 0.18470 | 0.29660 | 0.0470* | |
D45 | 0.67540 | 0.09960 | 0.32330 | 0.0480* | |
D46 | 0.81260 | 0.20890 | 0.27140 | 0.0470* | |
D47 | 0.74680 | 0.40570 | 0.19300 | 0.0510* | |
D48 | 0.54110 | 0.49190 | 0.16620 | 0.0520* | |
D49 | 0.12190 | 0.49620 | 0.47520 | 0.0610* | |
D50 | 0.07720 | 0.59220 | 0.56870 | 0.0710* | |
D51 | 0.22620 | 0.57840 | 0.65730 | 0.0630* | |
D52 | 0.41900 | 0.46630 | 0.65440 | 0.0560* | |
D53 | 0.46330 | 0.36960 | 0.56030 | 0.0720* | |
D54 | 0.31450 | 0.38440 | 0.47150 | 0.0660* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Pt1 | 0.0177 (1) | 0.0162 (1) | 0.0133 (1) | −0.0050 (1) | 0.0022 (1) | −0.0058 (1) |
P1 | 0.0195 (2) | 0.0165 (2) | 0.0147 (2) | −0.0055 (2) | 0.0020 (2) | −0.0057 (2) |
O1 | 0.0324 (7) | 0.0177 (6) | 0.0155 (6) | −0.0063 (5) | 0.0037 (5) | −0.0082 (5) |
O2 | 0.0306 (7) | 0.0238 (7) | 0.0187 (7) | −0.0133 (6) | 0.0030 (5) | −0.0092 (5) |
O3 | 0.0305 (7) | 0.0166 (6) | 0.0171 (6) | −0.0065 (5) | −0.0016 (5) | −0.0062 (5) |
N1 | 0.0212 (8) | 0.0329 (9) | 0.0196 (8) | −0.0026 (7) | −0.0007 (6) | −0.0153 (7) |
N2 | 0.0206 (8) | 0.0257 (8) | 0.0175 (8) | −0.0044 (6) | 0.0033 (6) | −0.0114 (6) |
C1 | 0.0190 (8) | 0.0185 (9) | 0.0166 (9) | −0.0083 (7) | 0.0040 (7) | −0.0071 (7) |
C2 | 0.0293 (11) | 0.0501 (14) | 0.0257 (11) | −0.0039 (10) | −0.0013 (9) | −0.0249 (10) |
C3 | 0.0283 (10) | 0.0396 (12) | 0.0204 (10) | −0.0042 (9) | 0.0031 (8) | −0.0169 (9) |
C4 | 0.0202 (9) | 0.0306 (10) | 0.0181 (9) | −0.0040 (8) | −0.0032 (7) | −0.0123 (8) |
C5 | 0.0226 (9) | 0.0274 (10) | 0.0203 (10) | −0.0065 (8) | −0.0035 (7) | −0.0102 (8) |
C6 | 0.0248 (10) | 0.0299 (11) | 0.0404 (13) | −0.0079 (9) | −0.0029 (9) | −0.0095 (9) |
C7 | 0.0201 (9) | 0.0330 (11) | 0.0269 (11) | −0.0070 (8) | −0.0008 (8) | −0.0111 (9) |
C8 | 0.0251 (10) | 0.0307 (11) | 0.0243 (10) | −0.0038 (8) | −0.0053 (8) | −0.0091 (9) |
C9 | 0.0276 (11) | 0.0353 (12) | 0.0414 (14) | −0.0013 (9) | −0.0072 (10) | −0.0036 (10) |
C10 | 0.0315 (11) | 0.0300 (11) | 0.0217 (10) | −0.0098 (9) | −0.0027 (8) | −0.0065 (8) |
C11 | 0.0237 (10) | 0.0358 (11) | 0.0189 (10) | −0.0095 (8) | −0.0006 (7) | −0.0114 (8) |
C12 | 0.0326 (11) | 0.0448 (13) | 0.0313 (12) | −0.0161 (10) | 0.0056 (9) | −0.0109 (10) |
C13 | 0.0202 (9) | 0.0275 (10) | 0.0154 (9) | −0.0047 (8) | 0.0053 (7) | −0.0063 (8) |
C14 | 0.0204 (9) | 0.0378 (11) | 0.0178 (9) | −0.0067 (8) | 0.0066 (7) | −0.0127 (8) |
C15 | 0.0258 (10) | 0.0360 (12) | 0.0354 (12) | −0.0140 (9) | 0.0076 (9) | −0.0171 (10) |
C16 | 0.0233 (10) | 0.0590 (15) | 0.0222 (11) | −0.0112 (10) | 0.0046 (8) | −0.0161 (10) |
C17 | 0.0237 (11) | 0.0625 (17) | 0.0228 (11) | −0.0009 (11) | 0.0033 (9) | −0.0022 (11) |
C18 | 0.0345 (14) | 0.098 (2) | 0.0400 (16) | 0.0024 (15) | −0.0090 (12) | 0.0011 (16) |
C19 | 0.0330 (12) | 0.0360 (13) | 0.0301 (12) | 0.0072 (10) | 0.0093 (10) | 0.0040 (10) |
C20 | 0.0286 (11) | 0.0288 (11) | 0.0253 (11) | −0.0030 (8) | 0.0126 (8) | −0.0056 (9) |
C21 | 0.0495 (14) | 0.0273 (12) | 0.0483 (15) | −0.0102 (10) | 0.0231 (12) | −0.0156 (11) |
C22 | 0.0234 (9) | 0.0186 (9) | 0.0188 (9) | −0.0072 (7) | 0.0031 (7) | −0.0070 (7) |
C23 | 0.0336 (11) | 0.0257 (11) | 0.0278 (11) | −0.0010 (9) | −0.0071 (9) | −0.0108 (9) |
C24 | 0.0368 (12) | 0.0352 (12) | 0.0345 (12) | −0.0076 (9) | −0.0085 (9) | −0.0186 (10) |
C25 | 0.0415 (12) | 0.0238 (11) | 0.0336 (12) | −0.0142 (9) | 0.0052 (9) | −0.0150 (9) |
C26 | 0.0461 (13) | 0.0179 (10) | 0.0322 (12) | −0.0033 (9) | −0.0040 (10) | −0.0075 (9) |
C27 | 0.0363 (11) | 0.0221 (10) | 0.0259 (11) | −0.0054 (8) | −0.0055 (9) | −0.0083 (8) |
C28 | 0.0225 (9) | 0.0182 (9) | 0.0182 (9) | −0.0032 (7) | 0.0004 (7) | −0.0091 (7) |
C29 | 0.0286 (10) | 0.0302 (11) | 0.0249 (11) | −0.0117 (9) | −0.0009 (8) | −0.0037 (9) |
C30 | 0.0309 (11) | 0.0408 (13) | 0.0408 (13) | −0.0155 (10) | −0.0074 (10) | −0.0080 (10) |
C31 | 0.0339 (12) | 0.0379 (12) | 0.0325 (12) | −0.0030 (10) | −0.0129 (9) | −0.0136 (10) |
C32 | 0.0361 (11) | 0.0329 (11) | 0.0183 (10) | −0.0017 (9) | −0.0027 (8) | −0.0068 (9) |
C33 | 0.0258 (10) | 0.0274 (10) | 0.0224 (10) | −0.0061 (8) | 0.0026 (8) | −0.0086 (8) |
C34 | 0.0189 (9) | 0.0255 (10) | 0.0160 (9) | −0.0063 (7) | −0.0006 (7) | −0.0037 (7) |
C35 | 0.0347 (11) | 0.0332 (12) | 0.0321 (12) | −0.0163 (9) | 0.0083 (9) | −0.0114 (9) |
C36 | 0.0375 (12) | 0.0478 (14) | 0.0361 (13) | −0.0264 (11) | 0.0087 (10) | −0.0073 (11) |
C37 | 0.0219 (10) | 0.0500 (14) | 0.0278 (12) | −0.0085 (10) | 0.0059 (8) | −0.0014 (10) |
C38 | 0.0330 (12) | 0.0358 (13) | 0.0376 (13) | −0.0005 (10) | 0.0145 (10) | −0.0069 (10) |
C39 | 0.0310 (11) | 0.0263 (11) | 0.0313 (12) | −0.0067 (9) | 0.0114 (9) | −0.0063 (9) |
C40 | 0.0514 (14) | 0.0309 (11) | 0.0268 (11) | −0.0193 (10) | 0.0073 (10) | −0.0144 (9) |
C41 | 0.0287 (10) | 0.0223 (10) | 0.0204 (10) | −0.0085 (8) | 0.0056 (8) | −0.0097 (8) |
C42 | 0.0285 (11) | 0.0333 (12) | 0.0403 (13) | −0.0052 (9) | 0.0091 (9) | −0.0138 (10) |
C43 | 0.0316 (12) | 0.0501 (15) | 0.0437 (14) | −0.0048 (10) | −0.0021 (10) | −0.0251 (12) |
C44 | 0.0442 (13) | 0.0467 (14) | 0.0357 (13) | −0.0196 (11) | 0.0021 (10) | −0.0192 (11) |
C45 | 0.0485 (14) | 0.0377 (13) | 0.0325 (13) | −0.0071 (11) | −0.0068 (10) | −0.0129 (10) |
C46 | 0.0329 (12) | 0.0475 (14) | 0.0380 (13) | −0.0037 (10) | −0.0030 (10) | −0.0191 (11) |
C47 | 0.0411 (13) | 0.0478 (15) | 0.0433 (14) | −0.0173 (11) | 0.0035 (11) | −0.0172 (12) |
C48 | 0.0472 (14) | 0.0325 (13) | 0.0468 (15) | −0.0030 (11) | −0.0044 (11) | −0.0143 (11) |
C49 | 0.0494 (15) | 0.0519 (16) | 0.0473 (16) | −0.0060 (12) | −0.0119 (12) | −0.0154 (13) |
C50 | 0.0405 (15) | 0.0650 (19) | 0.069 (2) | 0.0057 (13) | −0.0008 (14) | −0.0330 (16) |
C51 | 0.0543 (16) | 0.0576 (17) | 0.0531 (17) | −0.0049 (13) | 0.0057 (13) | −0.0347 (14) |
C52 | 0.0424 (14) | 0.0501 (15) | 0.0490 (16) | −0.0090 (12) | −0.0037 (12) | −0.0216 (13) |
C53 | 0.0417 (15) | 0.074 (2) | 0.067 (2) | 0.0043 (14) | −0.0014 (14) | −0.0415 (17) |
C54 | 0.0598 (17) | 0.0591 (18) | 0.0485 (17) | −0.0024 (14) | −0.0032 (13) | −0.0309 (14) |
Pt1—P1 | 2.2517 (6) | C9—H9A | 0.9800 |
Pt1—O1 | 2.0238 (14) | C9—H9B | 0.9800 |
Pt1—O3 | 2.0231 (14) | C9—H9C | 0.9800 |
Pt1—C1 | 1.9726 (19) | C10—H10 | 0.9500 |
P1—C22 | 1.828 (2) | C12—H12A | 0.9800 |
P1—C28 | 1.8232 (19) | C12—H12B | 0.9800 |
P1—C34 | 1.840 (2) | C12—H12C | 0.9800 |
O1—C41 | 1.388 (3) | C15—H15A | 0.9800 |
O2—O3 | 1.495 (2) | C15—H15B | 0.9800 |
O2—C41 | 1.432 (2) | C15—H15C | 0.9800 |
N1—C1 | 1.344 (2) | C16—H16 | 0.9500 |
N1—C2 | 1.480 (3) | C18—H18A | 0.9800 |
N1—C4 | 1.449 (3) | C18—H18B | 0.9800 |
N2—C1 | 1.357 (3) | C18—H18C | 0.9800 |
N2—C3 | 1.473 (3) | C19—H19 | 0.9500 |
N2—C13 | 1.442 (2) | C21—H21A | 0.9800 |
C2—C3 | 1.516 (3) | C21—H21B | 0.9800 |
C4—C5 | 1.398 (3) | C21—H21C | 0.9800 |
C4—C11 | 1.397 (3) | C23—H23 | 0.9500 |
C5—C6 | 1.499 (3) | C24—H24 | 0.9500 |
C5—C7 | 1.396 (3) | C25—H25 | 0.9500 |
C7—C8 | 1.387 (3) | C26—H26 | 0.9500 |
C8—C9 | 1.511 (3) | C27—H27 | 0.9500 |
C8—C10 | 1.389 (3) | C29—H29 | 0.9500 |
C10—C11 | 1.393 (3) | C30—H30 | 0.9500 |
C11—C12 | 1.511 (3) | C31—H31 | 0.9500 |
C13—C14 | 1.399 (3) | C32—H32 | 0.9500 |
C13—C20 | 1.400 (3) | C33—H33 | 0.9500 |
C14—C15 | 1.505 (3) | C35—H35 | 0.9500 |
C14—C16 | 1.396 (3) | C36—H36 | 0.9500 |
C16—C17 | 1.389 (4) | C37—H37 | 0.9500 |
C17—C18 | 1.517 (4) | C38—H38 | 0.9500 |
C17—C19 | 1.378 (4) | C39—H39 | 0.9500 |
C19—C20 | 1.396 (3) | C40—H40A | 0.9800 |
C20—C21 | 1.505 (3) | C40—H40B | 0.9800 |
C22—C23 | 1.389 (3) | C40—H40C | 0.9800 |
C22—C27 | 1.389 (3) | C42—H42A | 0.9800 |
C23—C24 | 1.391 (3) | C42—H42B | 0.9800 |
C24—C25 | 1.382 (3) | C42—H42C | 0.9800 |
C25—C26 | 1.377 (3) | C43—C44 | 1.372 (4) |
C26—C27 | 1.395 (3) | C43—C48 | 1.387 (3) |
C28—C29 | 1.393 (3) | C44—C45 | 1.378 (3) |
C28—C33 | 1.390 (3) | C45—C46 | 1.371 (3) |
C29—C30 | 1.386 (3) | C46—C47 | 1.376 (4) |
C30—C31 | 1.383 (3) | C47—C48 | 1.387 (3) |
C31—C32 | 1.379 (3) | C43—D43 | 0.9500 |
C32—C33 | 1.395 (3) | C44—D44 | 0.9500 |
C34—C35 | 1.389 (3) | C45—D45 | 0.9500 |
C34—C39 | 1.391 (3) | C46—D46 | 0.9500 |
C35—C36 | 1.395 (3) | C47—D47 | 0.9500 |
C36—C37 | 1.377 (4) | C48—D48 | 0.9500 |
C37—C38 | 1.371 (3) | C49—C50 | 1.369 (4) |
C38—C39 | 1.390 (3) | C49—C54 | 1.361 (4) |
C40—C41 | 1.527 (3) | C50—C51 | 1.376 (4) |
C41—C42 | 1.523 (3) | C51—C52 | 1.361 (4) |
C2—H2A | 0.9900 | C52—C53 | 1.380 (4) |
C2—H2B | 0.9900 | C53—C54 | 1.373 (5) |
C3—H3A | 0.9900 | C49—D49 | 0.9500 |
C3—H3B | 0.9900 | C50—D50 | 0.9500 |
C6—H6A | 0.9800 | C51—D51 | 0.9500 |
C6—H6B | 0.9800 | C52—D52 | 0.9500 |
C6—H6C | 0.9800 | C53—D53 | 0.9500 |
C7—H7 | 0.9500 | C54—D54 | 0.9500 |
Pt1···C5 | 3.850 (2) | C33···H38vii | 2.9300 |
Pt1···C6 | 3.756 (2) | C34···H33 | 2.7300 |
Pt1···C14 | 3.588 (2) | C35···H33 | 2.8900 |
Pt1···C15 | 3.504 (2) | C36···H40Avii | 3.0200 |
Pt1···H6A | 3.0200 | C37···H40Avii | 3.0000 |
Pt1···H15C | 2.8200 | C38···D45iv | 3.0300 |
Pt1···H23 | 3.5300 | C38···D46iv | 3.0400 |
Pt1···H29 | 2.9600 | C39···D46iv | 2.9800 |
Pt1···H39 | 3.1300 | C40···H25i | 3.0800 |
Pt1···H42A | 3.0100 | C40···D54 | 3.1000 |
P1···O1 | 2.9670 (15) | C41···H39 | 3.0400 |
P1···C1 | 3.2375 (19) | C42···D51x | 3.0700 |
O1···P1 | 2.9670 (15) | C42···H39 | 2.9600 |
O1···O2 | 2.307 (2) | C42···D46iv | 3.0600 |
O1···O3 | 2.6820 (19) | C45···H16 | 2.8700 |
O1···C28 | 3.235 (2) | C45···H32vi | 2.9300 |
O1···C29 | 3.282 (3) | C47···H7v | 3.0400 |
O1···C39 | 3.065 (3) | C47···D51xi | 2.9100 |
O2···O1 | 2.307 (2) | H2A···C12 | 2.8400 |
O2···C43 | 3.336 (3) | H2A···H12A | 2.2200 |
O3···C41 | 2.347 (2) | H2A···C11 | 2.9000 |
O3···C1 | 2.815 (2) | H2B···H6Bviii | 2.1900 |
O3···C4 | 3.178 (2) | H2B···C6viii | 2.8800 |
O3···C11 | 3.338 (2) | H3A···C20 | 3.0500 |
O3···C15 | 3.235 (3) | H3A···H21A | 2.3800 |
O3···O1 | 2.6820 (19) | H3A···H21C | 2.4800 |
O3···N1 | 3.222 (2) | H3A···C21 | 2.7200 |
O1···H39 | 2.2300 | H3A···C14iii | 3.0500 |
O2···H15C | 2.8300 | H3A···C16iii | 3.0300 |
O2···H25i | 2.7100 | H3B···H15A | 2.5700 |
O2···D43 | 2.5300 | H3B···C13iii | 3.0600 |
O2···H9Bii | 2.6600 | H3B···C14iii | 3.0800 |
O2···H10ii | 2.7800 | H3B···C16iii | 3.0500 |
O3···H12B | 2.7500 | H3B···C17iii | 2.9800 |
O3···H15C | 2.4000 | H3B···C20iii | 2.8700 |
O3···H42A | 2.4900 | H3B···C19iii | 2.8300 |
O3···H9Bii | 2.6200 | H6A···H23 | 2.4500 |
O3···H10ii | 2.6000 | H6A···Pt1 | 3.0200 |
N1···O3 | 3.222 (2) | H6B···N1 | 2.7800 |
N1···H6B | 2.7800 | H6B···H23 | 2.0600 |
N1···H12A | 2.9400 | H6B···C2viii | 2.9400 |
N1···H12B | 2.7000 | H6B···C23 | 2.9700 |
N2···H15A | 2.6600 | H6B···H2Bviii | 2.1900 |
N2···H21A | 2.5300 | H6C···H16iv | 2.4200 |
C1···P1 | 3.2375 (19) | H6C···H7 | 2.3100 |
C1···O3 | 2.815 (2) | H7···C47iv | 3.0400 |
C1···C6 | 3.462 (3) | H7···H6C | 2.3100 |
C1···C15 | 3.160 (3) | H9B···O3ii | 2.6200 |
C1···C22 | 3.597 (3) | H9B···H10 | 2.3600 |
C1···C23 | 3.430 (3) | H9B···O2ii | 2.6600 |
C2···C12 | 3.295 (4) | H10···H12C | 2.3300 |
C3···C17iii | 3.556 (3) | H10···O2ii | 2.7800 |
C3···C14iii | 3.527 (3) | H10···O3ii | 2.6000 |
C3···C21 | 3.267 (3) | H10···H9B | 2.3600 |
C3···C16iii | 3.425 (3) | H12A···N1 | 2.9400 |
C4···O3 | 3.178 (2) | H12A···H2A | 2.2200 |
C5···Pt1 | 3.850 (2) | H12A···C2 | 2.8900 |
C6···C1 | 3.462 (3) | H12B···O3 | 2.7500 |
C6···C23 | 3.582 (3) | H12B···N1 | 2.7000 |
C6···Pt1 | 3.756 (2) | H12B···H15A | 2.5600 |
C7···C47iv | 3.460 (3) | H12C···H10 | 2.3300 |
C10···C12ii | 3.592 (3) | H12C···C10ii | 3.0600 |
C11···O3 | 3.338 (2) | H15A···N2 | 2.6600 |
C12···C10ii | 3.592 (3) | H15A···C1 | 2.9100 |
C12···C2 | 3.295 (4) | H15A···C3 | 3.0500 |
C14···C3iii | 3.527 (3) | H15A···H12B | 2.5600 |
C14···Pt1 | 3.588 (2) | H15A···H21Ciii | 2.5800 |
C15···O3 | 3.235 (3) | H15A···H3B | 2.5700 |
C15···C44 | 3.581 (3) | H15B···H16 | 2.3600 |
C15···C1 | 3.160 (3) | H15C···Pt1 | 2.8200 |
C15···Pt1 | 3.504 (2) | H15C···O3 | 2.4000 |
C16···C3iii | 3.425 (3) | H15C···C1 | 2.9700 |
C17···C3iii | 3.556 (3) | H15C···O2 | 2.8300 |
C18···C36v | 3.556 (4) | H16···H6Cv | 2.4200 |
C21···C23 | 3.461 (3) | H16···H15B | 2.3600 |
C21···C3 | 3.267 (3) | H16···C45 | 2.8700 |
C21···C27 | 3.437 (3) | H16···H18A | 2.3500 |
C21···C24 | 3.504 (3) | H18A···H16 | 2.3500 |
C21···C25 | 3.513 (3) | H19···H21B | 2.4100 |
C21···C26 | 3.468 (3) | H21A···C23 | 2.6400 |
C21···C22 | 3.450 (3) | H21A···C22 | 2.9200 |
C22···C21 | 3.450 (3) | H21A···N2 | 2.5300 |
C23···C21 | 3.461 (3) | H21A···C24 | 2.7100 |
C23···C35 | 3.432 (3) | H21A···C25 | 3.0400 |
C23···C6 | 3.582 (3) | H21A···H3A | 2.3800 |
C23···C1 | 3.430 (3) | H21A···C3 | 2.8800 |
C24···C21 | 3.504 (3) | H21B···C25 | 3.0700 |
C25···C21 | 3.513 (3) | H21B···C27 | 3.0100 |
C26···C21 | 3.468 (3) | H21B···H19 | 2.4100 |
C27···C21 | 3.437 (3) | H21B···C26 | 2.8200 |
C27···C35 | 3.560 (3) | H21B···D48ix | 2.4000 |
C27···C33 | 3.469 (3) | H21C···H3A | 2.4800 |
C29···O1 | 3.282 (3) | H21C···H15Aiii | 2.5800 |
C32···C45vi | 3.535 (3) | H23···Pt1 | 3.5300 |
C33···C35 | 3.600 (3) | H23···C1 | 2.9000 |
C33···C27 | 3.469 (3) | H23···C6 | 2.6700 |
C35···C23 | 3.432 (3) | H23···H6A | 2.4500 |
C35···C27 | 3.560 (3) | H23···H6B | 2.0600 |
C35···C33 | 3.600 (3) | H24···C11viii | 2.9600 |
C36···C18iv | 3.556 (4) | H24···C10viii | 2.9800 |
C38···C38vii | 3.369 (3) | H25···O2ix | 2.7100 |
C38···C39vii | 3.469 (3) | H25···C40ix | 3.0800 |
C39···C38vii | 3.469 (3) | H25···D43ix | 2.5500 |
C39···O1 | 3.065 (3) | H25···H40Bix | 2.4200 |
C43···O2 | 3.336 (3) | H27···C28 | 2.6900 |
C44···C15 | 3.581 (3) | H27···C33 | 2.8100 |
C45···C32vi | 3.535 (3) | H29···C14 | 2.8800 |
C47···C7v | 3.460 (3) | H29···Pt1 | 2.9600 |
C1···H15A | 2.9100 | H29···C16 | 2.9000 |
C1···H23 | 2.9000 | H30···D45 | 2.5900 |
C1···H15C | 2.9700 | H32···C45vi | 2.9300 |
C2···H6Bviii | 2.9400 | H33···C35 | 2.8900 |
C2···H12A | 2.8900 | H33···C34 | 2.7300 |
C3···H21A | 2.8800 | H35···C23 | 2.9200 |
C3···H15A | 3.0500 | H35···C27 | 2.8700 |
C6···H23 | 2.6700 | H35···C22 | 2.5400 |
C6···H2Bviii | 2.8800 | H37···H40Avii | 2.5800 |
C10···H12Cii | 3.0600 | H38···C33vii | 2.9300 |
C10···H24viii | 2.9800 | H39···O1 | 2.2300 |
C11···H24viii | 2.9600 | H39···C41 | 3.0400 |
C11···H2A | 2.9000 | H39···Pt1 | 3.1300 |
C12···H2A | 2.8400 | H39···C42 | 2.9600 |
C13···H3Biii | 3.0600 | H39···H42C | 2.4900 |
C14···H3Aiii | 3.0500 | H40A···C36vii | 3.0200 |
C14···H3Biii | 3.0800 | H40A···C37vii | 3.0000 |
C14···H29 | 2.8800 | H40A···H37vii | 2.5800 |
C16···H29 | 2.9000 | H40B···C25i | 2.8000 |
C16···H3Biii | 3.0500 | H40B···C26i | 3.0000 |
C16···H3Aiii | 3.0300 | H40B···H42B | 2.4600 |
C17···H3Biii | 2.9800 | H40B···H25i | 2.4200 |
C19···H3Biii | 2.8300 | H42A···O3 | 2.4900 |
C20···H3A | 3.0500 | H42A···D46iv | 2.5800 |
C20···H3Biii | 2.8700 | H42A···Pt1 | 3.0100 |
C21···H3A | 2.7200 | H42B···H40B | 2.4600 |
C22···H21A | 2.9200 | H42C···H39 | 2.4900 |
C22···H35 | 2.5400 | H42C···D51x | 2.4600 |
C23···H35 | 2.9200 | D43···O2 | 2.5300 |
C23···H21A | 2.6400 | D43···H25i | 2.5500 |
C23···H6B | 2.9700 | D45···C38v | 3.0300 |
C24···H21A | 2.7100 | D45···H30 | 2.5900 |
C25···H21A | 3.0400 | D46···C38v | 3.0400 |
C25···H40Bix | 2.8000 | D46···C39v | 2.9800 |
C25···H21B | 3.0700 | D46···C42v | 3.0600 |
C26···H40Bix | 3.0000 | D46···H42Av | 2.5800 |
C26···H21B | 2.8200 | D48···H21Bi | 2.4000 |
C27···H35 | 2.8700 | D51···C42x | 3.0700 |
C27···H21B | 3.0100 | D51···C47xi | 2.9100 |
C28···H27 | 2.6900 | D51···H42Cx | 2.4600 |
C31···D54vi | 3.0400 | D53···C31vi | 3.0500 |
C31···D53vi | 3.0500 | D53···C32vi | 2.9200 |
C32···D53vi | 2.9200 | D54···C40 | 3.1000 |
C33···H27 | 2.8100 | D54···C31vi | 3.0400 |
P1—Pt1—O1 | 87.72 (6) | C8—C10—H10 | 119.00 |
P1—Pt1—O3 | 170.40 (6) | C11—C10—H10 | 119.00 |
P1—Pt1—C1 | 99.85 (7) | C11—C12—H12A | 109.00 |
O1—Pt1—O3 | 83.02 (7) | C11—C12—H12B | 109.00 |
O1—Pt1—C1 | 171.66 (8) | C11—C12—H12C | 109.00 |
O3—Pt1—C1 | 89.55 (8) | H12A—C12—H12B | 109.00 |
Pt1—P1—C22 | 122.59 (7) | H12A—C12—H12C | 109.00 |
Pt1—P1—C28 | 109.63 (8) | H12B—C12—H12C | 110.00 |
Pt1—P1—C34 | 113.40 (8) | C14—C15—H15A | 109.00 |
C22—P1—C28 | 105.90 (10) | C14—C15—H15B | 109.00 |
C22—P1—C34 | 100.32 (10) | C14—C15—H15C | 109.00 |
C28—P1—C34 | 103.00 (9) | H15A—C15—H15B | 109.00 |
Pt1—O1—C41 | 108.43 (12) | H15A—C15—H15C | 109.00 |
O3—O2—C41 | 106.54 (14) | H15B—C15—H15C | 109.00 |
Pt1—O3—O2 | 105.39 (10) | C14—C16—H16 | 119.00 |
C1—N1—C2 | 111.69 (17) | C17—C16—H16 | 119.00 |
C1—N1—C4 | 130.14 (17) | C17—C18—H18A | 109.00 |
C2—N1—C4 | 118.14 (17) | C17—C18—H18B | 109.00 |
C1—N2—C3 | 111.88 (16) | C17—C18—H18C | 110.00 |
C1—N2—C13 | 125.48 (16) | H18A—C18—H18B | 109.00 |
C3—N2—C13 | 118.99 (16) | H18A—C18—H18C | 109.00 |
Pt1—C1—N1 | 124.43 (15) | H18B—C18—H18C | 109.00 |
Pt1—C1—N2 | 127.63 (14) | C17—C19—H19 | 119.00 |
N1—C1—N2 | 107.85 (16) | C20—C19—H19 | 119.00 |
N1—C2—C3 | 101.80 (17) | C20—C21—H21A | 109.00 |
N2—C3—C2 | 101.59 (17) | C20—C21—H21B | 110.00 |
N1—C4—C5 | 120.95 (19) | C20—C21—H21C | 109.00 |
N1—C4—C11 | 117.62 (18) | H21A—C21—H21B | 109.00 |
C5—C4—C11 | 121.16 (19) | H21A—C21—H21C | 109.00 |
C4—C5—C6 | 122.49 (19) | H21B—C21—H21C | 109.00 |
C4—C5—C7 | 117.86 (19) | C22—C23—H23 | 119.00 |
C6—C5—C7 | 119.65 (19) | C24—C23—H23 | 119.00 |
C5—C7—C8 | 122.4 (2) | C23—C24—H24 | 120.00 |
C7—C8—C9 | 120.4 (2) | C25—C24—H24 | 120.00 |
C7—C8—C10 | 118.3 (2) | C24—C25—H25 | 120.00 |
C9—C8—C10 | 121.3 (2) | C26—C25—H25 | 120.00 |
C8—C10—C11 | 121.5 (2) | C25—C26—H26 | 119.00 |
C4—C11—C10 | 118.84 (19) | C27—C26—H26 | 119.00 |
C4—C11—C12 | 121.8 (2) | C22—C27—H27 | 120.00 |
C10—C11—C12 | 119.3 (2) | C26—C27—H27 | 120.00 |
N2—C13—C14 | 119.94 (19) | C28—C29—H29 | 120.00 |
N2—C13—C20 | 118.94 (19) | C30—C29—H29 | 120.00 |
C14—C13—C20 | 120.83 (19) | C29—C30—H30 | 120.00 |
C13—C14—C15 | 122.71 (19) | C31—C30—H30 | 120.00 |
C13—C14—C16 | 118.0 (2) | C30—C31—H31 | 120.00 |
C15—C14—C16 | 119.2 (2) | C32—C31—H31 | 120.00 |
C14—C16—C17 | 122.1 (2) | C31—C32—H32 | 120.00 |
C16—C17—C18 | 120.8 (2) | C33—C32—H32 | 120.00 |
C16—C17—C19 | 118.0 (2) | C28—C33—H33 | 120.00 |
C18—C17—C19 | 121.2 (2) | C32—C33—H33 | 120.00 |
C17—C19—C20 | 122.3 (2) | C34—C35—H35 | 120.00 |
C13—C20—C19 | 118.1 (2) | C36—C35—H35 | 120.00 |
C13—C20—C21 | 122.8 (2) | C35—C36—H36 | 120.00 |
C19—C20—C21 | 119.0 (2) | C37—C36—H36 | 120.00 |
P1—C22—C23 | 117.82 (16) | C36—C37—H37 | 120.00 |
P1—C22—C27 | 123.23 (16) | C38—C37—H37 | 120.00 |
C23—C22—C27 | 118.50 (19) | C37—C38—H38 | 120.00 |
C22—C23—C24 | 121.4 (2) | C39—C38—H38 | 120.00 |
C23—C24—C25 | 119.7 (2) | C34—C39—H39 | 120.00 |
C24—C25—C26 | 119.5 (2) | C38—C39—H39 | 120.00 |
C25—C26—C27 | 121.0 (2) | C41—C40—H40A | 109.00 |
C22—C27—C26 | 120.0 (2) | C41—C40—H40B | 109.00 |
P1—C28—C29 | 118.72 (15) | C41—C40—H40C | 109.00 |
P1—C28—C33 | 122.42 (16) | H40A—C40—H40B | 109.00 |
C29—C28—C33 | 118.82 (19) | H40A—C40—H40C | 109.00 |
C28—C29—C30 | 120.5 (2) | H40B—C40—H40C | 109.00 |
C29—C30—C31 | 120.1 (2) | C41—C42—H42A | 109.00 |
C30—C31—C32 | 120.1 (2) | C41—C42—H42B | 109.00 |
C31—C32—C33 | 119.8 (2) | C41—C42—H42C | 109.00 |
C28—C33—C32 | 120.6 (2) | H42A—C42—H42B | 109.00 |
P1—C34—C35 | 122.89 (17) | H42A—C42—H42C | 110.00 |
P1—C34—C39 | 118.36 (16) | H42B—C42—H42C | 109.00 |
C35—C34—C39 | 118.66 (19) | C44—C43—C48 | 119.7 (2) |
C34—C35—C36 | 120.3 (2) | C43—C44—C45 | 119.9 (2) |
C35—C36—C37 | 120.5 (2) | C44—C45—C46 | 120.5 (2) |
C36—C37—C38 | 119.5 (2) | C45—C46—C47 | 120.3 (2) |
C37—C38—C39 | 120.8 (2) | C46—C47—C48 | 119.4 (2) |
C34—C39—C38 | 120.4 (2) | C43—C48—C47 | 120.2 (2) |
O1—C41—O2 | 109.77 (16) | C44—C43—D43 | 120.00 |
O1—C41—C40 | 108.31 (17) | C48—C43—D43 | 120.00 |
O1—C41—C42 | 112.58 (18) | C43—C44—D44 | 120.00 |
O2—C41—C40 | 104.72 (17) | C45—C44—D44 | 120.00 |
O2—C41—C42 | 109.44 (17) | C44—C45—D45 | 120.00 |
C40—C41—C42 | 111.73 (18) | C46—C45—D45 | 120.00 |
N1—C2—H2A | 111.00 | C45—C46—D46 | 120.00 |
N1—C2—H2B | 111.00 | C47—C46—D46 | 120.00 |
C3—C2—H2A | 111.00 | C46—C47—D47 | 120.00 |
C3—C2—H2B | 111.00 | C48—C47—D47 | 120.00 |
H2A—C2—H2B | 109.00 | C43—C48—D48 | 120.00 |
N2—C3—H3A | 111.00 | C47—C48—D48 | 120.00 |
N2—C3—H3B | 111.00 | C50—C49—C54 | 119.8 (3) |
C2—C3—H3A | 111.00 | C49—C50—C51 | 120.2 (3) |
C2—C3—H3B | 111.00 | C50—C51—C52 | 120.4 (3) |
H3A—C3—H3B | 109.00 | C51—C52—C53 | 119.2 (3) |
C5—C6—H6A | 109.00 | C52—C53—C54 | 120.3 (3) |
C5—C6—H6B | 110.00 | C49—C54—C53 | 120.1 (3) |
C5—C6—H6C | 109.00 | C50—C49—D49 | 120.00 |
H6A—C6—H6B | 109.00 | C54—C49—D49 | 120.00 |
H6A—C6—H6C | 110.00 | C49—C50—D50 | 120.00 |
H6B—C6—H6C | 109.00 | C51—C50—D50 | 120.00 |
C5—C7—H7 | 119.00 | C50—C51—D51 | 120.00 |
C8—C7—H7 | 119.00 | C52—C51—D51 | 120.00 |
C8—C9—H9A | 109.00 | C51—C52—D52 | 120.00 |
C8—C9—H9B | 109.00 | C53—C52—D52 | 120.00 |
C8—C9—H9C | 109.00 | C52—C53—D53 | 120.00 |
H9A—C9—H9B | 109.00 | C54—C53—D53 | 120.00 |
H9A—C9—H9C | 110.00 | C49—C54—D54 | 120.00 |
H9B—C9—H9C | 109.00 | C53—C54—D54 | 120.00 |
O1—Pt1—P1—C22 | −176.46 (9) | N1—C4—C11—C12 | −7.9 (3) |
O1—Pt1—P1—C28 | −51.49 (9) | C5—C4—C11—C10 | −1.7 (3) |
O1—Pt1—P1—C34 | 62.99 (9) | C5—C4—C11—C12 | 178.0 (2) |
C1—Pt1—P1—C22 | 0.00 (11) | N1—C4—C5—C6 | 9.1 (3) |
C1—Pt1—P1—C28 | 124.98 (9) | C4—C5—C7—C8 | −0.5 (3) |
C1—Pt1—P1—C34 | −120.53 (10) | C6—C5—C7—C8 | 178.7 (2) |
P1—Pt1—O1—C41 | −165.54 (13) | C5—C7—C8—C9 | 178.7 (2) |
O3—Pt1—O1—C41 | 11.95 (13) | C5—C7—C8—C10 | −1.5 (3) |
O1—Pt1—O3—O2 | 17.73 (10) | C7—C8—C10—C11 | 1.9 (3) |
C1—Pt1—O3—O2 | −158.47 (11) | C9—C8—C10—C11 | −178.3 (2) |
P1—Pt1—C1—N1 | 119.21 (16) | C8—C10—C11—C4 | −0.3 (3) |
P1—Pt1—C1—N2 | −64.74 (18) | C8—C10—C11—C12 | 179.9 (2) |
O3—Pt1—C1—N1 | −58.86 (17) | N2—C13—C14—C15 | −5.8 (3) |
O3—Pt1—C1—N2 | 117.19 (18) | C20—C13—C14—C15 | 167.9 (2) |
Pt1—P1—C22—C23 | −49.50 (19) | C20—C13—C14—C16 | −8.7 (3) |
Pt1—P1—C22—C27 | 138.37 (16) | N2—C13—C20—C19 | −177.88 (19) |
C28—P1—C22—C23 | −176.12 (16) | N2—C13—C20—C21 | 5.9 (3) |
C28—P1—C22—C27 | 11.8 (2) | C14—C13—C20—C19 | 8.3 (3) |
C34—P1—C22—C23 | 77.04 (18) | C14—C13—C20—C21 | −167.9 (2) |
C34—P1—C22—C27 | −95.09 (19) | N2—C13—C14—C16 | 177.55 (18) |
Pt1—P1—C28—C29 | −28.46 (19) | C13—C14—C16—C17 | 3.0 (3) |
Pt1—P1—C28—C33 | 148.85 (16) | C15—C14—C16—C17 | −173.7 (2) |
C22—P1—C28—C29 | 105.66 (18) | C14—C16—C17—C19 | 2.9 (3) |
C22—P1—C28—C33 | −77.04 (19) | C14—C16—C17—C18 | −177.6 (2) |
C34—P1—C28—C29 | −149.45 (17) | C16—C17—C19—C20 | −3.3 (4) |
C34—P1—C28—C33 | 27.9 (2) | C18—C17—C19—C20 | 177.2 (2) |
Pt1—P1—C34—C35 | 147.85 (16) | C17—C19—C20—C21 | 174.2 (2) |
Pt1—P1—C34—C39 | −35.68 (18) | C17—C19—C20—C13 | −2.2 (3) |
C22—P1—C34—C35 | 15.37 (19) | C27—C22—C23—C24 | 1.2 (3) |
C22—P1—C34—C39 | −168.15 (16) | P1—C22—C27—C26 | 170.99 (17) |
C28—P1—C34—C35 | −93.76 (18) | C23—C22—C27—C26 | −1.1 (3) |
C28—P1—C34—C39 | 82.72 (18) | P1—C22—C23—C24 | −171.33 (18) |
Pt1—O1—C41—O2 | −41.44 (18) | C22—C23—C24—C25 | −0.5 (3) |
Pt1—O1—C41—C40 | −155.22 (14) | C23—C24—C25—C26 | −0.4 (4) |
Pt1—O1—C41—C42 | 80.74 (18) | C24—C25—C26—C27 | 0.4 (4) |
C41—O2—O3—Pt1 | −44.14 (15) | C25—C26—C27—C22 | 0.3 (3) |
O3—O2—C41—O1 | 58.02 (18) | P1—C28—C29—C30 | 175.86 (19) |
O3—O2—C41—C40 | 174.09 (15) | C33—C28—C29—C30 | −1.5 (3) |
O3—O2—C41—C42 | −66.01 (19) | P1—C28—C33—C32 | −175.52 (18) |
C2—N1—C1—Pt1 | −174.61 (15) | C29—C28—C33—C32 | 1.8 (3) |
C2—N1—C1—N2 | 8.7 (2) | C28—C29—C30—C31 | −0.2 (4) |
C4—N1—C1—Pt1 | 7.5 (3) | C29—C30—C31—C32 | 1.8 (4) |
C4—N1—C1—N2 | −169.24 (19) | C30—C31—C32—C33 | −1.5 (4) |
C1—N1—C2—C3 | −19.8 (2) | C31—C32—C33—C28 | −0.3 (3) |
C4—N1—C2—C3 | 158.40 (18) | C39—C34—C35—C36 | −0.7 (3) |
C1—N1—C4—C5 | −81.5 (3) | P1—C34—C39—C38 | −176.23 (17) |
C1—N1—C4—C11 | 104.4 (2) | C35—C34—C39—C38 | 0.4 (3) |
C2—N1—C4—C5 | 100.7 (2) | P1—C34—C35—C36 | 175.78 (17) |
C2—N1—C4—C11 | −73.4 (2) | C34—C35—C36—C37 | 0.5 (3) |
C3—N2—C1—Pt1 | −169.51 (15) | C35—C36—C37—C38 | 0.0 (3) |
C3—N2—C1—N1 | 7.1 (2) | C36—C37—C38—C39 | −0.3 (3) |
C13—N2—C1—Pt1 | −11.5 (3) | C37—C38—C39—C34 | 0.1 (3) |
C13—N2—C1—N1 | 165.12 (18) | C48—C43—C44—C45 | −0.4 (4) |
C1—N2—C3—C2 | −18.8 (2) | C44—C43—C48—C47 | 0.5 (4) |
C13—N2—C3—C2 | −178.43 (18) | C43—C44—C45—C46 | −0.1 (4) |
C1—N2—C13—C14 | −57.9 (3) | C44—C45—C46—C47 | 0.4 (4) |
C1—N2—C13—C20 | 128.3 (2) | C45—C46—C47—C48 | −0.3 (4) |
C3—N2—C13—C14 | 98.8 (2) | C46—C47—C48—C43 | −0.2 (4) |
C3—N2—C13—C20 | −75.1 (2) | C54—C49—C50—C51 | 0.4 (5) |
N1—C2—C3—N2 | 21.6 (2) | C50—C49—C54—C53 | −0.2 (5) |
C11—C4—C5—C6 | −177.0 (2) | C49—C50—C51—C52 | −0.5 (5) |
N1—C4—C5—C7 | −171.78 (19) | C50—C51—C52—C53 | 0.5 (4) |
C11—C4—C5—C7 | 2.1 (3) | C51—C52—C53—C54 | −0.3 (5) |
N1—C4—C11—C10 | 172.35 (19) | C52—C53—C54—C49 | 0.2 (5) |
Symmetry codes: (i) x, y+1, z; (ii) −x, −y+1, −z; (iii) −x+1, −y, −z; (iv) x−1, y, z; (v) x+1, y, z; (vi) −x+1, −y, −z+1; (vii) −x, −y, −z+1; (viii) −x, −y, −z; (ix) x, y−1, z; (x) −x, −y+1, −z+1; (xi) −x+1, −y+1, −z+1. |
D—H···A | D—H | H···A | D···A | D—H···A |
C15—H15C···O3 | 0.98 | 2.40 | 3.235 (3) | 143 |
C21—H21A···N2 | 0.98 | 2.53 | 2.916 (3) | 103 |
C39—H39···O1 | 0.95 | 2.23 | 3.065 (3) | 146 |
C42—H42A···O3 | 0.98 | 2.49 | 2.835 (3) | 101 |
C43—D43···O2 | 0.95 | 2.53 | 3.336 (3) | 142 |
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