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The title compound, [Pt(C3H6O3)(C21H26N2)(C18H15P)]·2C6D6, displays a rare platinacycle formed by a peroxoacetonate (2-peroxidopropan-2-olate) ligand and the Pt ion. The platinacycle adopts a half-chair conformation, with the local twofold rotation axis running through the Pt atom. The di­hydro­imidazol-2-yl­idene deviates significantly from planarity.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804022937/bv6000sup1.cif
Contains datablocks global, II

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804022937/bv6000IIsup2.hkl
Contains datablock II

CCDC reference: 252780

Key indicators

  • Single-crystal X-ray study
  • T = 150 K
  • Mean [sigma](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

Computing details top

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.

(II) top
Crystal data top
[Pt(C3H6O3)(C21H26N2)(C18H15P)]·2C6D6Z = 2
Mr = 1022.11F(000) = 1028
Triclinic, P1Quoted _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 1Dx = 1.461 Mg m3
a = 11.5582 (10) ÅMo Kα radiation, λ = 0.71073 Å
b = 12.6032 (10) ÅCell parameters from 574 reflections
c = 17.605 (2) Åθ = 2.0–25.0°
α = 69.96 (3)°µ = 3.10 mm1
β = 86.70 (4)°T = 150 K
γ = 74.80 (3)°Block, colourless
V = 2323.5 (7) Å30.25 × 0.25 × 0.15 mm
Data collection top
Nonius KappaCCD area-detector
diffractometer
10600 independent reflections
Radiation source: Rotating Anode9970 reflections with I2σ(I)
Graphite monochromatorRint = 0.041
Detector resolution: 18.4 pixels mm-1θmax = 27.5°, θmin = 1.2°
φ scans and ω scans with κ offseth = 1414
Absorption correction: multi-scan
PLATON/MULABS (Spek, 2003)
k = 1616
Tmin = 0.494, Tmax = 0.629l = 2222
57354 measured reflections
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.018Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.041H-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 parametersΔρmax = 1.12 e Å3
0 restraintsΔρmin = 0.83 e Å3
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
xyzUiso*/Ueq
Pt10.19139 (1)0.11162 (1)0.21289 (1)0.0155 (1)
P10.19795 (4)0.06938 (4)0.29939 (3)0.0167 (1)
O10.18000 (12)0.16419 (11)0.31018 (8)0.0213 (4)
O20.20546 (12)0.33197 (11)0.21161 (8)0.0227 (4)
O30.17583 (12)0.28307 (11)0.15109 (8)0.0211 (4)
N10.13165 (14)0.12918 (14)0.04770 (10)0.0237 (5)
N20.30967 (13)0.01205 (14)0.08714 (9)0.0206 (5)
C10.21225 (15)0.07994 (15)0.11004 (11)0.0172 (5)
C20.16762 (18)0.0797 (2)0.01771 (13)0.0330 (7)
C30.30100 (18)0.02642 (19)0.00086 (12)0.0287 (6)
C40.02205 (16)0.22184 (17)0.03557 (11)0.0222 (5)
C50.08421 (17)0.19856 (17)0.07069 (12)0.0227 (6)
C60.08794 (18)0.08252 (18)0.13176 (14)0.0320 (7)
C70.18963 (17)0.28843 (18)0.04808 (12)0.0263 (6)
C80.19155 (18)0.39836 (18)0.00682 (12)0.0272 (6)
C90.30834 (19)0.4921 (2)0.03076 (15)0.0383 (7)
C100.08380 (18)0.41958 (18)0.03866 (12)0.0278 (6)
C110.02360 (17)0.33250 (18)0.01836 (12)0.0252 (6)
C120.13828 (19)0.3602 (2)0.05479 (14)0.0358 (7)
C130.42590 (16)0.03469 (17)0.12816 (11)0.0218 (5)
C140.48765 (17)0.04085 (18)0.13938 (11)0.0249 (6)
C150.44340 (18)0.17181 (18)0.10358 (14)0.0302 (7)
C160.59778 (18)0.0084 (2)0.18217 (13)0.0343 (7)
C170.6492 (2)0.1282 (2)0.21008 (14)0.0418 (8)
C180.7667 (2)0.1794 (3)0.25923 (17)0.0676 (10)
C190.5908 (2)0.1988 (2)0.19125 (14)0.0407 (7)
C200.48014 (18)0.15456 (18)0.14916 (13)0.0299 (6)
C210.4279 (2)0.23556 (19)0.12406 (16)0.0418 (8)
C220.21817 (16)0.19515 (15)0.26597 (11)0.0198 (5)
C230.14515 (19)0.18346 (18)0.20212 (13)0.0296 (6)
C240.1435 (2)0.27897 (19)0.18006 (14)0.0336 (7)
C250.2164 (2)0.38795 (17)0.22188 (13)0.0306 (7)
C260.2903 (2)0.40036 (18)0.28465 (14)0.0331 (7)
C270.29210 (19)0.30476 (17)0.30702 (13)0.0282 (6)
C280.31383 (16)0.11180 (15)0.37796 (11)0.0193 (5)
C290.41245 (18)0.06451 (18)0.35970 (13)0.0285 (6)
C300.4986 (2)0.0886 (2)0.41906 (15)0.0375 (7)
C310.4871 (2)0.15977 (19)0.49729 (14)0.0350 (7)
C320.39157 (19)0.20960 (19)0.51602 (12)0.0309 (6)
C330.30498 (18)0.18578 (17)0.45626 (12)0.0254 (6)
C340.06105 (16)0.07838 (16)0.35730 (11)0.0209 (5)
C350.01782 (19)0.17749 (19)0.38206 (13)0.0321 (7)
C360.0820 (2)0.1820 (2)0.43036 (14)0.0396 (8)
C370.13938 (19)0.0880 (2)0.45351 (13)0.0368 (7)
C380.0976 (2)0.0104 (2)0.42873 (14)0.0392 (7)
C390.00209 (19)0.01602 (18)0.38090 (13)0.0311 (7)
C400.1874 (2)0.32672 (19)0.34606 (13)0.0337 (7)
C410.14411 (17)0.28543 (16)0.28342 (12)0.0230 (6)
C420.00918 (19)0.33310 (19)0.26663 (14)0.0346 (7)
C430.4867 (2)0.3457 (2)0.22866 (15)0.0404 (8)
C440.5267 (2)0.2300 (2)0.27523 (15)0.0393 (8)
C450.6479 (2)0.1797 (2)0.29104 (14)0.0398 (8)
C460.7292 (2)0.2444 (2)0.26045 (15)0.0394 (8)
C470.6905 (2)0.3607 (2)0.21396 (16)0.0425 (8)
C480.5686 (2)0.4116 (2)0.19811 (16)0.0432 (8)
C490.1827 (2)0.4898 (2)0.51178 (17)0.0508 (9)
C500.1565 (3)0.5467 (3)0.56686 (19)0.0592 (10)
C510.2447 (2)0.5382 (2)0.61953 (18)0.0528 (10)
C520.3583 (2)0.4726 (2)0.61781 (17)0.0463 (9)
C530.3842 (3)0.4154 (3)0.56218 (19)0.0599 (11)
C540.2962 (3)0.4242 (3)0.50956 (17)0.0548 (10)
H2A0.152000.141400.071700.0400*
H2B0.125500.019600.015000.0400*
H3A0.327800.049700.007900.0340*
H3B0.348600.079500.032300.0340*
H6A0.044400.070100.181500.0480*
H6B0.050300.020200.110000.0480*
H6C0.171500.081300.143700.0480*
H70.262700.273700.071100.0320*
H9A0.364500.464600.054300.0580*
H9B0.293400.563100.070700.0580*
H9C0.342800.509400.017200.0580*
H100.083300.495200.075100.0330*
H12A0.162700.323600.096100.0540*
H12B0.201500.329900.012300.0540*
H12C0.125000.445100.079600.0540*
H15A0.404700.193300.050400.0450*
H15B0.511300.206700.097600.0450*
H15C0.385400.200700.139400.0450*
H160.638900.041700.192500.0410*
H18A0.799700.115900.260600.1010*
H18B0.823800.229200.234300.1010*
H18C0.752600.226100.314500.1010*
H190.627100.280500.207500.0490*
H21A0.340500.205400.117800.0630*
H21B0.448300.313500.165500.0630*
H21C0.460900.240500.072500.0630*
H230.095300.108700.172900.0350*
H240.092500.269400.136400.0400*
H250.215500.453800.207400.0370*
H260.340900.475100.313100.0400*
H270.343900.314600.350300.0340*
H290.420700.015400.306100.0340*
H300.565700.056200.406000.0450*
H310.545100.174300.538200.0420*
H320.384800.260000.569400.0370*
H330.239400.220400.469200.0300*
H350.056400.242500.366000.0380*
H360.110600.250400.447400.0470*
H370.207400.091300.486400.0440*
H380.137300.075500.444400.0470*
H390.030100.084700.364200.0370*
H40A0.155800.291000.398900.0510*
H40B0.158900.412000.329700.0510*
H40C0.275300.303600.349800.0510*
H42A0.014600.308700.224000.0520*
H42B0.011800.418700.249000.0520*
H42C0.032800.302600.316100.0520*
D430.403300.380500.217400.0480*
D440.470900.184700.296600.0470*
D450.675400.099600.323300.0480*
D460.812600.208900.271400.0470*
D470.746800.405700.193000.0510*
D480.541100.491900.166200.0520*
D490.121900.496200.475200.0610*
D500.077200.592200.568700.0710*
D510.226200.578400.657300.0630*
D520.419000.466300.654400.0560*
D530.463300.369600.560300.0720*
D540.314500.384400.471500.0660*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Pt10.0177 (1)0.0162 (1)0.0133 (1)0.0050 (1)0.0022 (1)0.0058 (1)
P10.0195 (2)0.0165 (2)0.0147 (2)0.0055 (2)0.0020 (2)0.0057 (2)
O10.0324 (7)0.0177 (6)0.0155 (6)0.0063 (5)0.0037 (5)0.0082 (5)
O20.0306 (7)0.0238 (7)0.0187 (7)0.0133 (6)0.0030 (5)0.0092 (5)
O30.0305 (7)0.0166 (6)0.0171 (6)0.0065 (5)0.0016 (5)0.0062 (5)
N10.0212 (8)0.0329 (9)0.0196 (8)0.0026 (7)0.0007 (6)0.0153 (7)
N20.0206 (8)0.0257 (8)0.0175 (8)0.0044 (6)0.0033 (6)0.0114 (6)
C10.0190 (8)0.0185 (9)0.0166 (9)0.0083 (7)0.0040 (7)0.0071 (7)
C20.0293 (11)0.0501 (14)0.0257 (11)0.0039 (10)0.0013 (9)0.0249 (10)
C30.0283 (10)0.0396 (12)0.0204 (10)0.0042 (9)0.0031 (8)0.0169 (9)
C40.0202 (9)0.0306 (10)0.0181 (9)0.0040 (8)0.0032 (7)0.0123 (8)
C50.0226 (9)0.0274 (10)0.0203 (10)0.0065 (8)0.0035 (7)0.0102 (8)
C60.0248 (10)0.0299 (11)0.0404 (13)0.0079 (9)0.0029 (9)0.0095 (9)
C70.0201 (9)0.0330 (11)0.0269 (11)0.0070 (8)0.0008 (8)0.0111 (9)
C80.0251 (10)0.0307 (11)0.0243 (10)0.0038 (8)0.0053 (8)0.0091 (9)
C90.0276 (11)0.0353 (12)0.0414 (14)0.0013 (9)0.0072 (10)0.0036 (10)
C100.0315 (11)0.0300 (11)0.0217 (10)0.0098 (9)0.0027 (8)0.0065 (8)
C110.0237 (10)0.0358 (11)0.0189 (10)0.0095 (8)0.0006 (7)0.0114 (8)
C120.0326 (11)0.0448 (13)0.0313 (12)0.0161 (10)0.0056 (9)0.0109 (10)
C130.0202 (9)0.0275 (10)0.0154 (9)0.0047 (8)0.0053 (7)0.0063 (8)
C140.0204 (9)0.0378 (11)0.0178 (9)0.0067 (8)0.0066 (7)0.0127 (8)
C150.0258 (10)0.0360 (12)0.0354 (12)0.0140 (9)0.0076 (9)0.0171 (10)
C160.0233 (10)0.0590 (15)0.0222 (11)0.0112 (10)0.0046 (8)0.0161 (10)
C170.0237 (11)0.0625 (17)0.0228 (11)0.0009 (11)0.0033 (9)0.0022 (11)
C180.0345 (14)0.098 (2)0.0400 (16)0.0024 (15)0.0090 (12)0.0011 (16)
C190.0330 (12)0.0360 (13)0.0301 (12)0.0072 (10)0.0093 (10)0.0040 (10)
C200.0286 (11)0.0288 (11)0.0253 (11)0.0030 (8)0.0126 (8)0.0056 (9)
C210.0495 (14)0.0273 (12)0.0483 (15)0.0102 (10)0.0231 (12)0.0156 (11)
C220.0234 (9)0.0186 (9)0.0188 (9)0.0072 (7)0.0031 (7)0.0070 (7)
C230.0336 (11)0.0257 (11)0.0278 (11)0.0010 (9)0.0071 (9)0.0108 (9)
C240.0368 (12)0.0352 (12)0.0345 (12)0.0076 (9)0.0085 (9)0.0186 (10)
C250.0415 (12)0.0238 (11)0.0336 (12)0.0142 (9)0.0052 (9)0.0150 (9)
C260.0461 (13)0.0179 (10)0.0322 (12)0.0033 (9)0.0040 (10)0.0075 (9)
C270.0363 (11)0.0221 (10)0.0259 (11)0.0054 (8)0.0055 (9)0.0083 (8)
C280.0225 (9)0.0182 (9)0.0182 (9)0.0032 (7)0.0004 (7)0.0091 (7)
C290.0286 (10)0.0302 (11)0.0249 (11)0.0117 (9)0.0009 (8)0.0037 (9)
C300.0309 (11)0.0408 (13)0.0408 (13)0.0155 (10)0.0074 (10)0.0080 (10)
C310.0339 (12)0.0379 (12)0.0325 (12)0.0030 (10)0.0129 (9)0.0136 (10)
C320.0361 (11)0.0329 (11)0.0183 (10)0.0017 (9)0.0027 (8)0.0068 (9)
C330.0258 (10)0.0274 (10)0.0224 (10)0.0061 (8)0.0026 (8)0.0086 (8)
C340.0189 (9)0.0255 (10)0.0160 (9)0.0063 (7)0.0006 (7)0.0037 (7)
C350.0347 (11)0.0332 (12)0.0321 (12)0.0163 (9)0.0083 (9)0.0114 (9)
C360.0375 (12)0.0478 (14)0.0361 (13)0.0264 (11)0.0087 (10)0.0073 (11)
C370.0219 (10)0.0500 (14)0.0278 (12)0.0085 (10)0.0059 (8)0.0014 (10)
C380.0330 (12)0.0358 (13)0.0376 (13)0.0005 (10)0.0145 (10)0.0069 (10)
C390.0310 (11)0.0263 (11)0.0313 (12)0.0067 (9)0.0114 (9)0.0063 (9)
C400.0514 (14)0.0309 (11)0.0268 (11)0.0193 (10)0.0073 (10)0.0144 (9)
C410.0287 (10)0.0223 (10)0.0204 (10)0.0085 (8)0.0056 (8)0.0097 (8)
C420.0285 (11)0.0333 (12)0.0403 (13)0.0052 (9)0.0091 (9)0.0138 (10)
C430.0316 (12)0.0501 (15)0.0437 (14)0.0048 (10)0.0021 (10)0.0251 (12)
C440.0442 (13)0.0467 (14)0.0357 (13)0.0196 (11)0.0021 (10)0.0192 (11)
C450.0485 (14)0.0377 (13)0.0325 (13)0.0071 (11)0.0068 (10)0.0129 (10)
C460.0329 (12)0.0475 (14)0.0380 (13)0.0037 (10)0.0030 (10)0.0191 (11)
C470.0411 (13)0.0478 (15)0.0433 (14)0.0173 (11)0.0035 (11)0.0172 (12)
C480.0472 (14)0.0325 (13)0.0468 (15)0.0030 (11)0.0044 (11)0.0143 (11)
C490.0494 (15)0.0519 (16)0.0473 (16)0.0060 (12)0.0119 (12)0.0154 (13)
C500.0405 (15)0.0650 (19)0.069 (2)0.0057 (13)0.0008 (14)0.0330 (16)
C510.0543 (16)0.0576 (17)0.0531 (17)0.0049 (13)0.0057 (13)0.0347 (14)
C520.0424 (14)0.0501 (15)0.0490 (16)0.0090 (12)0.0037 (12)0.0216 (13)
C530.0417 (15)0.074 (2)0.067 (2)0.0043 (14)0.0014 (14)0.0415 (17)
C540.0598 (17)0.0591 (18)0.0485 (17)0.0024 (14)0.0032 (13)0.0309 (14)
Geometric parameters (Å, º) top
Pt1—P12.2517 (6)C9—H9A0.9800
Pt1—O12.0238 (14)C9—H9B0.9800
Pt1—O32.0231 (14)C9—H9C0.9800
Pt1—C11.9726 (19)C10—H100.9500
P1—C221.828 (2)C12—H12A0.9800
P1—C281.8232 (19)C12—H12B0.9800
P1—C341.840 (2)C12—H12C0.9800
O1—C411.388 (3)C15—H15A0.9800
O2—O31.495 (2)C15—H15B0.9800
O2—C411.432 (2)C15—H15C0.9800
N1—C11.344 (2)C16—H160.9500
N1—C21.480 (3)C18—H18A0.9800
N1—C41.449 (3)C18—H18B0.9800
N2—C11.357 (3)C18—H18C0.9800
N2—C31.473 (3)C19—H190.9500
N2—C131.442 (2)C21—H21A0.9800
C2—C31.516 (3)C21—H21B0.9800
C4—C51.398 (3)C21—H21C0.9800
C4—C111.397 (3)C23—H230.9500
C5—C61.499 (3)C24—H240.9500
C5—C71.396 (3)C25—H250.9500
C7—C81.387 (3)C26—H260.9500
C8—C91.511 (3)C27—H270.9500
C8—C101.389 (3)C29—H290.9500
C10—C111.393 (3)C30—H300.9500
C11—C121.511 (3)C31—H310.9500
C13—C141.399 (3)C32—H320.9500
C13—C201.400 (3)C33—H330.9500
C14—C151.505 (3)C35—H350.9500
C14—C161.396 (3)C36—H360.9500
C16—C171.389 (4)C37—H370.9500
C17—C181.517 (4)C38—H380.9500
C17—C191.378 (4)C39—H390.9500
C19—C201.396 (3)C40—H40A0.9800
C20—C211.505 (3)C40—H40B0.9800
C22—C231.389 (3)C40—H40C0.9800
C22—C271.389 (3)C42—H42A0.9800
C23—C241.391 (3)C42—H42B0.9800
C24—C251.382 (3)C42—H42C0.9800
C25—C261.377 (3)C43—C441.372 (4)
C26—C271.395 (3)C43—C481.387 (3)
C28—C291.393 (3)C44—C451.378 (3)
C28—C331.390 (3)C45—C461.371 (3)
C29—C301.386 (3)C46—C471.376 (4)
C30—C311.383 (3)C47—C481.387 (3)
C31—C321.379 (3)C43—D430.9500
C32—C331.395 (3)C44—D440.9500
C34—C351.389 (3)C45—D450.9500
C34—C391.391 (3)C46—D460.9500
C35—C361.395 (3)C47—D470.9500
C36—C371.377 (4)C48—D480.9500
C37—C381.371 (3)C49—C501.369 (4)
C38—C391.390 (3)C49—C541.361 (4)
C40—C411.527 (3)C50—C511.376 (4)
C41—C421.523 (3)C51—C521.361 (4)
C2—H2A0.9900C52—C531.380 (4)
C2—H2B0.9900C53—C541.373 (5)
C3—H3A0.9900C49—D490.9500
C3—H3B0.9900C50—D500.9500
C6—H6A0.9800C51—D510.9500
C6—H6B0.9800C52—D520.9500
C6—H6C0.9800C53—D530.9500
C7—H70.9500C54—D540.9500
Pt1···C53.850 (2)C33···H38vii2.9300
Pt1···C63.756 (2)C34···H332.7300
Pt1···C143.588 (2)C35···H332.8900
Pt1···C153.504 (2)C36···H40Avii3.0200
Pt1···H6A3.0200C37···H40Avii3.0000
Pt1···H15C2.8200C38···D45iv3.0300
Pt1···H233.5300C38···D46iv3.0400
Pt1···H292.9600C39···D46iv2.9800
Pt1···H393.1300C40···H25i3.0800
Pt1···H42A3.0100C40···D543.1000
P1···O12.9670 (15)C41···H393.0400
P1···C13.2375 (19)C42···D51x3.0700
O1···P12.9670 (15)C42···H392.9600
O1···O22.307 (2)C42···D46iv3.0600
O1···O32.6820 (19)C45···H162.8700
O1···C283.235 (2)C45···H32vi2.9300
O1···C293.282 (3)C47···H7v3.0400
O1···C393.065 (3)C47···D51xi2.9100
O2···O12.307 (2)H2A···C122.8400
O2···C433.336 (3)H2A···H12A2.2200
O3···C412.347 (2)H2A···C112.9000
O3···C12.815 (2)H2B···H6Bviii2.1900
O3···C43.178 (2)H2B···C6viii2.8800
O3···C113.338 (2)H3A···C203.0500
O3···C153.235 (3)H3A···H21A2.3800
O3···O12.6820 (19)H3A···H21C2.4800
O3···N13.222 (2)H3A···C212.7200
O1···H392.2300H3A···C14iii3.0500
O2···H15C2.8300H3A···C16iii3.0300
O2···H25i2.7100H3B···H15A2.5700
O2···D432.5300H3B···C13iii3.0600
O2···H9Bii2.6600H3B···C14iii3.0800
O2···H10ii2.7800H3B···C16iii3.0500
O3···H12B2.7500H3B···C17iii2.9800
O3···H15C2.4000H3B···C20iii2.8700
O3···H42A2.4900H3B···C19iii2.8300
O3···H9Bii2.6200H6A···H232.4500
O3···H10ii2.6000H6A···Pt13.0200
N1···O33.222 (2)H6B···N12.7800
N1···H6B2.7800H6B···H232.0600
N1···H12A2.9400H6B···C2viii2.9400
N1···H12B2.7000H6B···C232.9700
N2···H15A2.6600H6B···H2Bviii2.1900
N2···H21A2.5300H6C···H16iv2.4200
C1···P13.2375 (19)H6C···H72.3100
C1···O32.815 (2)H7···C47iv3.0400
C1···C63.462 (3)H7···H6C2.3100
C1···C153.160 (3)H9B···O3ii2.6200
C1···C223.597 (3)H9B···H102.3600
C1···C233.430 (3)H9B···O2ii2.6600
C2···C123.295 (4)H10···H12C2.3300
C3···C17iii3.556 (3)H10···O2ii2.7800
C3···C14iii3.527 (3)H10···O3ii2.6000
C3···C213.267 (3)H10···H9B2.3600
C3···C16iii3.425 (3)H12A···N12.9400
C4···O33.178 (2)H12A···H2A2.2200
C5···Pt13.850 (2)H12A···C22.8900
C6···C13.462 (3)H12B···O32.7500
C6···C233.582 (3)H12B···N12.7000
C6···Pt13.756 (2)H12B···H15A2.5600
C7···C47iv3.460 (3)H12C···H102.3300
C10···C12ii3.592 (3)H12C···C10ii3.0600
C11···O33.338 (2)H15A···N22.6600
C12···C10ii3.592 (3)H15A···C12.9100
C12···C23.295 (4)H15A···C33.0500
C14···C3iii3.527 (3)H15A···H12B2.5600
C14···Pt13.588 (2)H15A···H21Ciii2.5800
C15···O33.235 (3)H15A···H3B2.5700
C15···C443.581 (3)H15B···H162.3600
C15···C13.160 (3)H15C···Pt12.8200
C15···Pt13.504 (2)H15C···O32.4000
C16···C3iii3.425 (3)H15C···C12.9700
C17···C3iii3.556 (3)H15C···O22.8300
C18···C36v3.556 (4)H16···H6Cv2.4200
C21···C233.461 (3)H16···H15B2.3600
C21···C33.267 (3)H16···C452.8700
C21···C273.437 (3)H16···H18A2.3500
C21···C243.504 (3)H18A···H162.3500
C21···C253.513 (3)H19···H21B2.4100
C21···C263.468 (3)H21A···C232.6400
C21···C223.450 (3)H21A···C222.9200
C22···C213.450 (3)H21A···N22.5300
C23···C213.461 (3)H21A···C242.7100
C23···C353.432 (3)H21A···C253.0400
C23···C63.582 (3)H21A···H3A2.3800
C23···C13.430 (3)H21A···C32.8800
C24···C213.504 (3)H21B···C253.0700
C25···C213.513 (3)H21B···C273.0100
C26···C213.468 (3)H21B···H192.4100
C27···C213.437 (3)H21B···C262.8200
C27···C353.560 (3)H21B···D48ix2.4000
C27···C333.469 (3)H21C···H3A2.4800
C29···O13.282 (3)H21C···H15Aiii2.5800
C32···C45vi3.535 (3)H23···Pt13.5300
C33···C353.600 (3)H23···C12.9000
C33···C273.469 (3)H23···C62.6700
C35···C233.432 (3)H23···H6A2.4500
C35···C273.560 (3)H23···H6B2.0600
C35···C333.600 (3)H24···C11viii2.9600
C36···C18iv3.556 (4)H24···C10viii2.9800
C38···C38vii3.369 (3)H25···O2ix2.7100
C38···C39vii3.469 (3)H25···C40ix3.0800
C39···C38vii3.469 (3)H25···D43ix2.5500
C39···O13.065 (3)H25···H40Bix2.4200
C43···O23.336 (3)H27···C282.6900
C44···C153.581 (3)H27···C332.8100
C45···C32vi3.535 (3)H29···C142.8800
C47···C7v3.460 (3)H29···Pt12.9600
C1···H15A2.9100H29···C162.9000
C1···H232.9000H30···D452.5900
C1···H15C2.9700H32···C45vi2.9300
C2···H6Bviii2.9400H33···C352.8900
C2···H12A2.8900H33···C342.7300
C3···H21A2.8800H35···C232.9200
C3···H15A3.0500H35···C272.8700
C6···H232.6700H35···C222.5400
C6···H2Bviii2.8800H37···H40Avii2.5800
C10···H12Cii3.0600H38···C33vii2.9300
C10···H24viii2.9800H39···O12.2300
C11···H24viii2.9600H39···C413.0400
C11···H2A2.9000H39···Pt13.1300
C12···H2A2.8400H39···C422.9600
C13···H3Biii3.0600H39···H42C2.4900
C14···H3Aiii3.0500H40A···C36vii3.0200
C14···H3Biii3.0800H40A···C37vii3.0000
C14···H292.8800H40A···H37vii2.5800
C16···H292.9000H40B···C25i2.8000
C16···H3Biii3.0500H40B···C26i3.0000
C16···H3Aiii3.0300H40B···H42B2.4600
C17···H3Biii2.9800H40B···H25i2.4200
C19···H3Biii2.8300H42A···O32.4900
C20···H3A3.0500H42A···D46iv2.5800
C20···H3Biii2.8700H42A···Pt13.0100
C21···H3A2.7200H42B···H40B2.4600
C22···H21A2.9200H42C···H392.4900
C22···H352.5400H42C···D51x2.4600
C23···H352.9200D43···O22.5300
C23···H21A2.6400D43···H25i2.5500
C23···H6B2.9700D45···C38v3.0300
C24···H21A2.7100D45···H302.5900
C25···H21A3.0400D46···C38v3.0400
C25···H40Bix2.8000D46···C39v2.9800
C25···H21B3.0700D46···C42v3.0600
C26···H40Bix3.0000D46···H42Av2.5800
C26···H21B2.8200D48···H21Bi2.4000
C27···H352.8700D51···C42x3.0700
C27···H21B3.0100D51···C47xi2.9100
C28···H272.6900D51···H42Cx2.4600
C31···D54vi3.0400D53···C31vi3.0500
C31···D53vi3.0500D53···C32vi2.9200
C32···D53vi2.9200D54···C403.1000
C33···H272.8100D54···C31vi3.0400
P1—Pt1—O187.72 (6)C8—C10—H10119.00
P1—Pt1—O3170.40 (6)C11—C10—H10119.00
P1—Pt1—C199.85 (7)C11—C12—H12A109.00
O1—Pt1—O383.02 (7)C11—C12—H12B109.00
O1—Pt1—C1171.66 (8)C11—C12—H12C109.00
O3—Pt1—C189.55 (8)H12A—C12—H12B109.00
Pt1—P1—C22122.59 (7)H12A—C12—H12C109.00
Pt1—P1—C28109.63 (8)H12B—C12—H12C110.00
Pt1—P1—C34113.40 (8)C14—C15—H15A109.00
C22—P1—C28105.90 (10)C14—C15—H15B109.00
C22—P1—C34100.32 (10)C14—C15—H15C109.00
C28—P1—C34103.00 (9)H15A—C15—H15B109.00
Pt1—O1—C41108.43 (12)H15A—C15—H15C109.00
O3—O2—C41106.54 (14)H15B—C15—H15C109.00
Pt1—O3—O2105.39 (10)C14—C16—H16119.00
C1—N1—C2111.69 (17)C17—C16—H16119.00
C1—N1—C4130.14 (17)C17—C18—H18A109.00
C2—N1—C4118.14 (17)C17—C18—H18B109.00
C1—N2—C3111.88 (16)C17—C18—H18C110.00
C1—N2—C13125.48 (16)H18A—C18—H18B109.00
C3—N2—C13118.99 (16)H18A—C18—H18C109.00
Pt1—C1—N1124.43 (15)H18B—C18—H18C109.00
Pt1—C1—N2127.63 (14)C17—C19—H19119.00
N1—C1—N2107.85 (16)C20—C19—H19119.00
N1—C2—C3101.80 (17)C20—C21—H21A109.00
N2—C3—C2101.59 (17)C20—C21—H21B110.00
N1—C4—C5120.95 (19)C20—C21—H21C109.00
N1—C4—C11117.62 (18)H21A—C21—H21B109.00
C5—C4—C11121.16 (19)H21A—C21—H21C109.00
C4—C5—C6122.49 (19)H21B—C21—H21C109.00
C4—C5—C7117.86 (19)C22—C23—H23119.00
C6—C5—C7119.65 (19)C24—C23—H23119.00
C5—C7—C8122.4 (2)C23—C24—H24120.00
C7—C8—C9120.4 (2)C25—C24—H24120.00
C7—C8—C10118.3 (2)C24—C25—H25120.00
C9—C8—C10121.3 (2)C26—C25—H25120.00
C8—C10—C11121.5 (2)C25—C26—H26119.00
C4—C11—C10118.84 (19)C27—C26—H26119.00
C4—C11—C12121.8 (2)C22—C27—H27120.00
C10—C11—C12119.3 (2)C26—C27—H27120.00
N2—C13—C14119.94 (19)C28—C29—H29120.00
N2—C13—C20118.94 (19)C30—C29—H29120.00
C14—C13—C20120.83 (19)C29—C30—H30120.00
C13—C14—C15122.71 (19)C31—C30—H30120.00
C13—C14—C16118.0 (2)C30—C31—H31120.00
C15—C14—C16119.2 (2)C32—C31—H31120.00
C14—C16—C17122.1 (2)C31—C32—H32120.00
C16—C17—C18120.8 (2)C33—C32—H32120.00
C16—C17—C19118.0 (2)C28—C33—H33120.00
C18—C17—C19121.2 (2)C32—C33—H33120.00
C17—C19—C20122.3 (2)C34—C35—H35120.00
C13—C20—C19118.1 (2)C36—C35—H35120.00
C13—C20—C21122.8 (2)C35—C36—H36120.00
C19—C20—C21119.0 (2)C37—C36—H36120.00
P1—C22—C23117.82 (16)C36—C37—H37120.00
P1—C22—C27123.23 (16)C38—C37—H37120.00
C23—C22—C27118.50 (19)C37—C38—H38120.00
C22—C23—C24121.4 (2)C39—C38—H38120.00
C23—C24—C25119.7 (2)C34—C39—H39120.00
C24—C25—C26119.5 (2)C38—C39—H39120.00
C25—C26—C27121.0 (2)C41—C40—H40A109.00
C22—C27—C26120.0 (2)C41—C40—H40B109.00
P1—C28—C29118.72 (15)C41—C40—H40C109.00
P1—C28—C33122.42 (16)H40A—C40—H40B109.00
C29—C28—C33118.82 (19)H40A—C40—H40C109.00
C28—C29—C30120.5 (2)H40B—C40—H40C109.00
C29—C30—C31120.1 (2)C41—C42—H42A109.00
C30—C31—C32120.1 (2)C41—C42—H42B109.00
C31—C32—C33119.8 (2)C41—C42—H42C109.00
C28—C33—C32120.6 (2)H42A—C42—H42B109.00
P1—C34—C35122.89 (17)H42A—C42—H42C110.00
P1—C34—C39118.36 (16)H42B—C42—H42C109.00
C35—C34—C39118.66 (19)C44—C43—C48119.7 (2)
C34—C35—C36120.3 (2)C43—C44—C45119.9 (2)
C35—C36—C37120.5 (2)C44—C45—C46120.5 (2)
C36—C37—C38119.5 (2)C45—C46—C47120.3 (2)
C37—C38—C39120.8 (2)C46—C47—C48119.4 (2)
C34—C39—C38120.4 (2)C43—C48—C47120.2 (2)
O1—C41—O2109.77 (16)C44—C43—D43120.00
O1—C41—C40108.31 (17)C48—C43—D43120.00
O1—C41—C42112.58 (18)C43—C44—D44120.00
O2—C41—C40104.72 (17)C45—C44—D44120.00
O2—C41—C42109.44 (17)C44—C45—D45120.00
C40—C41—C42111.73 (18)C46—C45—D45120.00
N1—C2—H2A111.00C45—C46—D46120.00
N1—C2—H2B111.00C47—C46—D46120.00
C3—C2—H2A111.00C46—C47—D47120.00
C3—C2—H2B111.00C48—C47—D47120.00
H2A—C2—H2B109.00C43—C48—D48120.00
N2—C3—H3A111.00C47—C48—D48120.00
N2—C3—H3B111.00C50—C49—C54119.8 (3)
C2—C3—H3A111.00C49—C50—C51120.2 (3)
C2—C3—H3B111.00C50—C51—C52120.4 (3)
H3A—C3—H3B109.00C51—C52—C53119.2 (3)
C5—C6—H6A109.00C52—C53—C54120.3 (3)
C5—C6—H6B110.00C49—C54—C53120.1 (3)
C5—C6—H6C109.00C50—C49—D49120.00
H6A—C6—H6B109.00C54—C49—D49120.00
H6A—C6—H6C110.00C49—C50—D50120.00
H6B—C6—H6C109.00C51—C50—D50120.00
C5—C7—H7119.00C50—C51—D51120.00
C8—C7—H7119.00C52—C51—D51120.00
C8—C9—H9A109.00C51—C52—D52120.00
C8—C9—H9B109.00C53—C52—D52120.00
C8—C9—H9C109.00C52—C53—D53120.00
H9A—C9—H9B109.00C54—C53—D53120.00
H9A—C9—H9C110.00C49—C54—D54120.00
H9B—C9—H9C109.00C53—C54—D54120.00
O1—Pt1—P1—C22176.46 (9)N1—C4—C11—C127.9 (3)
O1—Pt1—P1—C2851.49 (9)C5—C4—C11—C101.7 (3)
O1—Pt1—P1—C3462.99 (9)C5—C4—C11—C12178.0 (2)
C1—Pt1—P1—C220.00 (11)N1—C4—C5—C69.1 (3)
C1—Pt1—P1—C28124.98 (9)C4—C5—C7—C80.5 (3)
C1—Pt1—P1—C34120.53 (10)C6—C5—C7—C8178.7 (2)
P1—Pt1—O1—C41165.54 (13)C5—C7—C8—C9178.7 (2)
O3—Pt1—O1—C4111.95 (13)C5—C7—C8—C101.5 (3)
O1—Pt1—O3—O217.73 (10)C7—C8—C10—C111.9 (3)
C1—Pt1—O3—O2158.47 (11)C9—C8—C10—C11178.3 (2)
P1—Pt1—C1—N1119.21 (16)C8—C10—C11—C40.3 (3)
P1—Pt1—C1—N264.74 (18)C8—C10—C11—C12179.9 (2)
O3—Pt1—C1—N158.86 (17)N2—C13—C14—C155.8 (3)
O3—Pt1—C1—N2117.19 (18)C20—C13—C14—C15167.9 (2)
Pt1—P1—C22—C2349.50 (19)C20—C13—C14—C168.7 (3)
Pt1—P1—C22—C27138.37 (16)N2—C13—C20—C19177.88 (19)
C28—P1—C22—C23176.12 (16)N2—C13—C20—C215.9 (3)
C28—P1—C22—C2711.8 (2)C14—C13—C20—C198.3 (3)
C34—P1—C22—C2377.04 (18)C14—C13—C20—C21167.9 (2)
C34—P1—C22—C2795.09 (19)N2—C13—C14—C16177.55 (18)
Pt1—P1—C28—C2928.46 (19)C13—C14—C16—C173.0 (3)
Pt1—P1—C28—C33148.85 (16)C15—C14—C16—C17173.7 (2)
C22—P1—C28—C29105.66 (18)C14—C16—C17—C192.9 (3)
C22—P1—C28—C3377.04 (19)C14—C16—C17—C18177.6 (2)
C34—P1—C28—C29149.45 (17)C16—C17—C19—C203.3 (4)
C34—P1—C28—C3327.9 (2)C18—C17—C19—C20177.2 (2)
Pt1—P1—C34—C35147.85 (16)C17—C19—C20—C21174.2 (2)
Pt1—P1—C34—C3935.68 (18)C17—C19—C20—C132.2 (3)
C22—P1—C34—C3515.37 (19)C27—C22—C23—C241.2 (3)
C22—P1—C34—C39168.15 (16)P1—C22—C27—C26170.99 (17)
C28—P1—C34—C3593.76 (18)C23—C22—C27—C261.1 (3)
C28—P1—C34—C3982.72 (18)P1—C22—C23—C24171.33 (18)
Pt1—O1—C41—O241.44 (18)C22—C23—C24—C250.5 (3)
Pt1—O1—C41—C40155.22 (14)C23—C24—C25—C260.4 (4)
Pt1—O1—C41—C4280.74 (18)C24—C25—C26—C270.4 (4)
C41—O2—O3—Pt144.14 (15)C25—C26—C27—C220.3 (3)
O3—O2—C41—O158.02 (18)P1—C28—C29—C30175.86 (19)
O3—O2—C41—C40174.09 (15)C33—C28—C29—C301.5 (3)
O3—O2—C41—C4266.01 (19)P1—C28—C33—C32175.52 (18)
C2—N1—C1—Pt1174.61 (15)C29—C28—C33—C321.8 (3)
C2—N1—C1—N28.7 (2)C28—C29—C30—C310.2 (4)
C4—N1—C1—Pt17.5 (3)C29—C30—C31—C321.8 (4)
C4—N1—C1—N2169.24 (19)C30—C31—C32—C331.5 (4)
C1—N1—C2—C319.8 (2)C31—C32—C33—C280.3 (3)
C4—N1—C2—C3158.40 (18)C39—C34—C35—C360.7 (3)
C1—N1—C4—C581.5 (3)P1—C34—C39—C38176.23 (17)
C1—N1—C4—C11104.4 (2)C35—C34—C39—C380.4 (3)
C2—N1—C4—C5100.7 (2)P1—C34—C35—C36175.78 (17)
C2—N1—C4—C1173.4 (2)C34—C35—C36—C370.5 (3)
C3—N2—C1—Pt1169.51 (15)C35—C36—C37—C380.0 (3)
C3—N2—C1—N17.1 (2)C36—C37—C38—C390.3 (3)
C13—N2—C1—Pt111.5 (3)C37—C38—C39—C340.1 (3)
C13—N2—C1—N1165.12 (18)C48—C43—C44—C450.4 (4)
C1—N2—C3—C218.8 (2)C44—C43—C48—C470.5 (4)
C13—N2—C3—C2178.43 (18)C43—C44—C45—C460.1 (4)
C1—N2—C13—C1457.9 (3)C44—C45—C46—C470.4 (4)
C1—N2—C13—C20128.3 (2)C45—C46—C47—C480.3 (4)
C3—N2—C13—C1498.8 (2)C46—C47—C48—C430.2 (4)
C3—N2—C13—C2075.1 (2)C54—C49—C50—C510.4 (5)
N1—C2—C3—N221.6 (2)C50—C49—C54—C530.2 (5)
C11—C4—C5—C6177.0 (2)C49—C50—C51—C520.5 (5)
N1—C4—C5—C7171.78 (19)C50—C51—C52—C530.5 (4)
C11—C4—C5—C72.1 (3)C51—C52—C53—C540.3 (5)
N1—C4—C11—C10172.35 (19)C52—C53—C54—C490.2 (5)
Symmetry codes: (i) x, y+1, z; (ii) x, y+1, z; (iii) x+1, y, z; (iv) x1, y, z; (v) x+1, y, z; (vi) x+1, y, z+1; (vii) x, y, z+1; (viii) x, y, z; (ix) x, y1, z; (x) x, y+1, z+1; (xi) x+1, y+1, z+1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C15—H15C···O30.982.403.235 (3)143
C21—H21A···N20.982.532.916 (3)103
C39—H39···O10.952.233.065 (3)146
C42—H42A···O30.982.492.835 (3)101
C43—D43···O20.952.533.336 (3)142
 

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