Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806001322/lh6579sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806001322/lh6579Isup2.hkl |
CCDC reference: 298496
Data collection: X-AREA (Stoe & Cie, 2001); cell refinement: X-AREA; data reduction: X-AREA; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: XP in SHELXTL-Plus (Sheldrick, 1991); software used to prepare material for publication: SHELXL97 and PLATON.
[Pt(CO3)(C18H15P)2]·C6H6 | Z = 2 |
Mr = 857.75 | F(000) = 852 |
Triclinic, P1 | Dx = 1.580 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 10.594 (2) Å | Cell parameters from 12395 reflections |
b = 12.512 (2) Å | θ = 2.1–25.2° |
c = 15.195 (2) Å | µ = 4.02 mm−1 |
α = 85.15 (1)° | T = 100 K |
β = 71.34 (1)° | Needle, colourless |
γ = 70.91 (1)° | 0.11 × 0.08 × 0.04 mm |
V = 1802.9 (5) Å3 |
Stoe IPDS-II two-circle diffractometer | 6408 independent reflections |
Radiation source: fine-focus sealed tube | 4337 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.081 |
ω scans | θmax = 25.2°, θmin = 1.4° |
Absorption correction: multi-scan (MULABS; Spek, 2003; Blessing, 1995) | h = −11→12 |
Tmin = 0.666, Tmax = 0.856 | k = −14→14 |
21885 measured reflections | l = 0→18 |
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)] = 0.057 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.126 | H-atom parameters constrained |
S = 0.95 | w = 1/[σ2(Fo2) + (0.0154P)2] where P = (Fo2 + 2Fc2)/3 |
6408 reflections | (Δ/σ)max < 0.001 |
442 parameters | Δρmax = 2.04 e Å−3 |
0 restraints | Δρmin = −1.27 e Å−3 |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | ||
Pt1 | 0.67942 (6) | 0.62015 (5) | 0.22046 (4) | 0.01740 (13) | |
P1 | 0.6181 (3) | 0.7725 (3) | 0.1357 (2) | 0.0197 (6) | |
P2 | 0.7993 (3) | 0.6854 (3) | 0.2924 (2) | 0.0197 (7) | |
C1 | 0.6510 (13) | 0.4274 (10) | 0.2256 (8) | 0.026 (3) | |
O1 | 0.5932 (8) | 0.5168 (7) | 0.1775 (7) | 0.030 (2) | |
O2 | 0.7176 (8) | 0.4598 (8) | 0.2748 (6) | 0.027 (2) | |
O3 | 0.6456 (8) | 0.3311 (7) | 0.2235 (7) | 0.034 (2) | |
C11 | 0.4796 (11) | 0.7684 (10) | 0.0902 (8) | 0.020 (2) | |
C12 | 0.5077 (12) | 0.6725 (11) | 0.0297 (9) | 0.028 (3) | |
H12 | 0.5932 | 0.6114 | 0.0163 | 0.034* | |
C13 | 0.4052 (10) | 0.6767 (10) | −0.0053 (7) | 0.018 (2) | |
H13 | 0.4214 | 0.6124 | −0.0416 | 0.022* | |
C14 | 0.2816 (12) | 0.7598 (10) | 0.0039 (9) | 0.028 (3) | |
H14 | 0.2188 | 0.7567 | −0.0280 | 0.033* | |
C15 | 0.2518 (13) | 0.8510 (12) | 0.0635 (10) | 0.036 (3) | |
H15 | 0.1637 | 0.9093 | 0.0771 | 0.043* | |
C16 | 0.3539 (13) | 0.8549 (11) | 0.1028 (9) | 0.032 (3) | |
H16 | 0.3357 | 0.9194 | 0.1393 | 0.038* | |
C21 | 0.5406 (11) | 0.9098 (10) | 0.1945 (9) | 0.024 (3) | |
C22 | 0.5615 (12) | 1.0086 (10) | 0.1582 (9) | 0.025 (3) | |
H22 | 0.6292 | 1.0077 | 0.0992 | 0.031* | |
C23 | 0.4817 (14) | 1.1139 (12) | 0.2085 (10) | 0.037 (3) | |
H23 | 0.4931 | 1.1830 | 0.1819 | 0.045* | |
C24 | 0.3889 (15) | 1.1136 (13) | 0.2955 (11) | 0.045 (4) | |
H24 | 0.3413 | 1.1818 | 0.3314 | 0.054* | |
C25 | 0.3646 (16) | 1.0136 (12) | 0.3311 (12) | 0.042 (4) | |
H25 | 0.2958 | 1.0169 | 0.3899 | 0.051* | |
C26 | 0.4316 (14) | 0.9145 (10) | 0.2879 (8) | 0.028 (3) | |
H26 | 0.4118 | 0.8481 | 0.3147 | 0.034* | |
C31 | 0.7631 (12) | 0.7749 (9) | 0.0330 (8) | 0.023 (3) | |
C32 | 0.7408 (13) | 0.8456 (11) | −0.0407 (9) | 0.030 (3) | |
H32 | 0.6491 | 0.8950 | −0.0362 | 0.036* | |
C33 | 0.8551 (13) | 0.8439 (10) | −0.1228 (10) | 0.032 (3) | |
H33 | 0.8410 | 0.8966 | −0.1703 | 0.038* | |
C34 | 0.9912 (15) | 0.7625 (15) | −0.1331 (10) | 0.043 (4) | |
H34 | 1.0675 | 0.7570 | −0.1884 | 0.052* | |
C35 | 1.0069 (11) | 0.6912 (11) | −0.0580 (9) | 0.027 (3) | |
H35 | 1.0970 | 0.6390 | −0.0623 | 0.032* | |
C36 | 0.8988 (11) | 0.6937 (10) | 0.0205 (9) | 0.028 (3) | |
H36 | 0.9138 | 0.6408 | 0.0678 | 0.034* | |
C41 | 0.7464 (11) | 0.6509 (10) | 0.4147 (8) | 0.022 (2) | |
C42 | 0.6046 (12) | 0.6632 (10) | 0.4583 (8) | 0.024 (3) | |
H42 | 0.5414 | 0.6839 | 0.4227 | 0.028* | |
C43 | 0.5539 (12) | 0.6455 (11) | 0.5541 (8) | 0.028 (3) | |
H43 | 0.4579 | 0.6518 | 0.5837 | 0.033* | |
C44 | 0.6511 (14) | 0.6179 (11) | 0.6046 (10) | 0.036 (3) | |
H44 | 0.6194 | 0.6066 | 0.6695 | 0.044* | |
C45 | 0.7929 (13) | 0.6070 (11) | 0.5612 (9) | 0.031 (3) | |
H45 | 0.8561 | 0.5873 | 0.5968 | 0.037* | |
C46 | 0.8424 (13) | 0.6247 (11) | 0.4661 (9) | 0.031 (3) | |
H46 | 0.9381 | 0.6193 | 0.4367 | 0.037* | |
C51 | 0.9879 (11) | 0.6013 (11) | 0.2483 (7) | 0.021 (3) | |
C52 | 1.0922 (13) | 0.6506 (12) | 0.2487 (10) | 0.032 (3) | |
H52 | 1.0651 | 0.7259 | 0.2713 | 0.038* | |
C53 | 1.2366 (13) | 0.5856 (12) | 0.2150 (10) | 0.032 (3) | |
H53 | 1.3066 | 0.6189 | 0.2119 | 0.039* | |
C54 | 1.2749 (12) | 0.4761 (12) | 0.1872 (9) | 0.033 (3) | |
H54 | 1.3708 | 0.4306 | 0.1693 | 0.040* | |
C55 | 1.1723 (12) | 0.4323 (12) | 0.1856 (10) | 0.033 (3) | |
H55 | 1.1994 | 0.3571 | 0.1628 | 0.039* | |
C56 | 1.0266 (12) | 0.4961 (12) | 0.2169 (10) | 0.036 (3) | |
H56 | 0.9580 | 0.4635 | 0.2153 | 0.043* | |
C61 | 0.7932 (13) | 0.8332 (11) | 0.2913 (10) | 0.030 (3) | |
C62 | 0.8616 (13) | 0.8810 (12) | 0.2114 (10) | 0.032 (3) | |
H62 | 0.9128 | 0.8355 | 0.1565 | 0.038* | |
C63 | 0.8566 (13) | 0.9932 (12) | 0.2103 (11) | 0.036 (3) | |
H63 | 0.9067 | 1.0229 | 0.1558 | 0.044* | |
C64 | 0.7796 (15) | 1.0611 (12) | 0.2878 (11) | 0.043 (4) | |
H64 | 0.7738 | 1.1386 | 0.2866 | 0.051* | |
C65 | 0.7092 (16) | 1.0158 (13) | 0.3691 (11) | 0.044 (4) | |
H65 | 0.6583 | 1.0617 | 0.4238 | 0.053* | |
C66 | 0.7147 (13) | 0.9028 (12) | 0.3689 (11) | 0.040 (4) | |
H66 | 0.6637 | 0.8731 | 0.4231 | 0.048* | |
C71 | 0.9662 (19) | 0.1470 (16) | 0.5225 (13) | 0.058 (5) | |
H71 | 1.0360 | 0.0822 | 0.5341 | 0.069* | |
C72 | 0.9830 (17) | 0.1900 (17) | 0.4327 (14) | 0.064 (5) | |
H72 | 1.0665 | 0.1526 | 0.3850 | 0.077* | |
C73 | 0.891 (2) | 0.2789 (18) | 0.4092 (14) | 0.071 (5) | |
H73 | 0.9024 | 0.3000 | 0.3463 | 0.086* | |
C74 | 0.7707 (15) | 0.3434 (13) | 0.4862 (11) | 0.042 (4) | |
H74 | 0.7059 | 0.4121 | 0.4752 | 0.051* | |
C75 | 0.7548 (19) | 0.3007 (15) | 0.5749 (12) | 0.055 (4) | |
H75 | 0.6776 | 0.3423 | 0.6246 | 0.066* | |
C76 | 0.8453 (17) | 0.2007 (15) | 0.5949 (13) | 0.052 (4) | |
H76 | 0.8262 | 0.1697 | 0.6552 | 0.062* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Pt1 | 0.01574 (19) | 0.0176 (2) | 0.0179 (2) | −0.00476 (15) | −0.00497 (15) | 0.00240 (16) |
P1 | 0.0192 (14) | 0.0203 (16) | 0.0173 (16) | −0.0055 (12) | −0.0039 (12) | 0.0012 (13) |
P2 | 0.0227 (15) | 0.0148 (15) | 0.0253 (18) | −0.0062 (13) | −0.0124 (13) | 0.0018 (13) |
C1 | 0.041 (7) | 0.023 (7) | 0.018 (6) | −0.021 (6) | −0.003 (6) | 0.005 (5) |
O1 | 0.016 (4) | 0.023 (5) | 0.049 (6) | −0.005 (4) | −0.008 (4) | 0.002 (4) |
O2 | 0.027 (4) | 0.040 (5) | 0.020 (5) | −0.013 (4) | −0.015 (4) | 0.007 (4) |
O3 | 0.024 (4) | 0.028 (5) | 0.045 (6) | −0.003 (4) | −0.008 (4) | −0.004 (4) |
C11 | 0.016 (5) | 0.023 (6) | 0.018 (6) | −0.006 (5) | 0.000 (5) | 0.000 (5) |
C12 | 0.024 (6) | 0.031 (7) | 0.024 (7) | −0.008 (5) | −0.001 (5) | −0.002 (6) |
C13 | 0.017 (5) | 0.026 (6) | 0.011 (6) | −0.004 (5) | −0.008 (4) | 0.007 (5) |
C14 | 0.023 (6) | 0.029 (7) | 0.032 (7) | −0.008 (5) | −0.010 (5) | 0.002 (6) |
C15 | 0.025 (6) | 0.039 (8) | 0.035 (8) | 0.002 (6) | −0.010 (6) | −0.003 (7) |
C16 | 0.031 (7) | 0.033 (7) | 0.034 (8) | −0.013 (6) | −0.010 (6) | −0.002 (6) |
C21 | 0.017 (5) | 0.024 (6) | 0.034 (7) | −0.009 (5) | −0.013 (5) | 0.006 (6) |
C22 | 0.020 (6) | 0.018 (6) | 0.031 (7) | −0.002 (5) | −0.003 (5) | 0.000 (5) |
C23 | 0.035 (7) | 0.029 (7) | 0.042 (9) | 0.000 (6) | −0.011 (6) | −0.011 (7) |
C24 | 0.039 (8) | 0.043 (9) | 0.041 (9) | 0.004 (7) | −0.008 (7) | −0.021 (7) |
C25 | 0.044 (8) | 0.023 (7) | 0.046 (10) | 0.000 (6) | −0.004 (7) | −0.002 (7) |
C26 | 0.060 (8) | 0.017 (6) | 0.016 (6) | −0.015 (6) | −0.021 (6) | 0.011 (5) |
C31 | 0.030 (6) | 0.013 (6) | 0.026 (7) | −0.013 (5) | −0.001 (5) | −0.005 (5) |
C32 | 0.029 (6) | 0.029 (7) | 0.032 (8) | −0.005 (5) | −0.013 (6) | 0.001 (6) |
C33 | 0.039 (7) | 0.013 (6) | 0.039 (8) | −0.009 (5) | −0.005 (6) | −0.008 (6) |
C34 | 0.028 (7) | 0.074 (12) | 0.026 (8) | −0.024 (8) | 0.003 (6) | −0.008 (8) |
C35 | 0.015 (5) | 0.038 (7) | 0.034 (7) | −0.015 (5) | −0.010 (5) | −0.001 (6) |
C36 | 0.021 (6) | 0.025 (6) | 0.035 (8) | −0.003 (5) | −0.011 (5) | 0.009 (6) |
C41 | 0.022 (6) | 0.023 (6) | 0.018 (6) | −0.005 (5) | −0.005 (5) | −0.001 (5) |
C42 | 0.029 (6) | 0.029 (7) | 0.017 (6) | −0.013 (5) | −0.011 (5) | 0.009 (5) |
C43 | 0.024 (6) | 0.048 (8) | 0.015 (6) | −0.013 (6) | −0.008 (5) | −0.007 (6) |
C44 | 0.044 (8) | 0.032 (7) | 0.031 (8) | −0.007 (6) | −0.015 (6) | −0.001 (6) |
C45 | 0.039 (7) | 0.031 (7) | 0.021 (7) | −0.005 (6) | −0.014 (6) | −0.007 (6) |
C46 | 0.024 (6) | 0.035 (7) | 0.032 (8) | −0.007 (6) | −0.009 (6) | −0.005 (6) |
C51 | 0.013 (5) | 0.042 (8) | 0.009 (5) | −0.009 (5) | −0.008 (4) | 0.006 (5) |
C52 | 0.023 (6) | 0.033 (8) | 0.043 (9) | −0.012 (6) | −0.013 (6) | 0.006 (7) |
C53 | 0.024 (6) | 0.042 (9) | 0.037 (8) | −0.018 (6) | −0.012 (6) | 0.007 (7) |
C54 | 0.018 (6) | 0.041 (8) | 0.038 (8) | −0.009 (6) | −0.003 (5) | −0.007 (7) |
C55 | 0.015 (6) | 0.038 (8) | 0.037 (8) | −0.002 (5) | −0.001 (5) | −0.006 (6) |
C56 | 0.019 (6) | 0.041 (8) | 0.056 (9) | −0.018 (6) | −0.014 (6) | 0.004 (7) |
C61 | 0.029 (6) | 0.025 (7) | 0.040 (8) | −0.009 (5) | −0.017 (6) | 0.009 (6) |
C62 | 0.027 (7) | 0.037 (8) | 0.033 (8) | −0.013 (6) | −0.008 (6) | 0.002 (7) |
C63 | 0.028 (6) | 0.036 (8) | 0.055 (10) | −0.018 (6) | −0.020 (7) | 0.009 (7) |
C64 | 0.046 (8) | 0.023 (7) | 0.058 (10) | −0.018 (7) | −0.007 (8) | 0.001 (7) |
C65 | 0.058 (9) | 0.035 (8) | 0.037 (9) | −0.018 (7) | −0.007 (7) | −0.007 (7) |
C66 | 0.023 (7) | 0.035 (8) | 0.038 (9) | 0.005 (6) | 0.009 (6) | 0.001 (7) |
C71 | 0.069 (11) | 0.059 (11) | 0.054 (11) | −0.018 (9) | −0.036 (10) | 0.014 (9) |
C72 | 0.043 (9) | 0.074 (13) | 0.063 (13) | −0.002 (9) | −0.014 (9) | −0.014 (11) |
C73 | 0.067 (12) | 0.079 (14) | 0.057 (12) | −0.006 (10) | −0.025 (10) | 0.014 (11) |
C74 | 0.045 (8) | 0.040 (8) | 0.050 (10) | −0.015 (7) | −0.022 (7) | −0.011 (7) |
C75 | 0.073 (11) | 0.053 (10) | 0.048 (10) | −0.030 (9) | −0.022 (9) | 0.004 (9) |
C76 | 0.056 (10) | 0.054 (10) | 0.056 (11) | −0.029 (9) | −0.024 (9) | 0.015 (9) |
Pt1—O1 | 2.057 (8) | C41—C42 | 1.396 (15) |
Pt1—O2 | 2.067 (9) | C41—C46 | 1.414 (16) |
Pt1—P1 | 2.242 (3) | C42—C43 | 1.408 (16) |
Pt1—P2 | 2.279 (3) | C42—H42 | 0.9500 |
P1—C31 | 1.812 (12) | C43—C44 | 1.413 (17) |
P1—C21 | 1.816 (13) | C43—H43 | 0.9500 |
P1—C11 | 1.826 (11) | C44—C45 | 1.399 (18) |
P2—C41 | 1.818 (12) | C44—H44 | 0.9500 |
P2—C61 | 1.828 (13) | C45—C46 | 1.396 (18) |
P2—C51 | 1.854 (11) | C45—H45 | 0.9500 |
C1—O3 | 1.228 (14) | C46—H46 | 0.9500 |
C1—O2 | 1.340 (14) | C51—C56 | 1.325 (18) |
C1—O1 | 1.364 (15) | C51—C52 | 1.432 (16) |
C11—C16 | 1.383 (17) | C52—C53 | 1.421 (17) |
C11—C12 | 1.465 (17) | C52—H52 | 0.9500 |
C12—C13 | 1.341 (16) | C53—C54 | 1.36 (2) |
C12—H12 | 0.9500 | C53—H53 | 0.9500 |
C13—C14 | 1.354 (16) | C54—C55 | 1.376 (17) |
C13—H13 | 0.9500 | C54—H54 | 0.9500 |
C14—C15 | 1.407 (19) | C55—C56 | 1.426 (17) |
C14—H14 | 0.9500 | C55—H55 | 0.9500 |
C15—C16 | 1.407 (18) | C56—H56 | 0.9500 |
C15—H15 | 0.9500 | C61—C66 | 1.38 (2) |
C16—H16 | 0.9500 | C61—C62 | 1.398 (18) |
C21—C22 | 1.366 (16) | C62—C63 | 1.386 (19) |
C21—C26 | 1.507 (17) | C62—H62 | 0.9500 |
C22—C23 | 1.436 (18) | C63—C64 | 1.37 (2) |
C22—H22 | 0.9500 | C63—H63 | 0.9500 |
C23—C24 | 1.37 (2) | C64—C65 | 1.40 (2) |
C23—H23 | 0.9500 | C64—H64 | 0.9500 |
C24—C25 | 1.39 (2) | C65—C66 | 1.40 (2) |
C24—H24 | 0.9500 | C65—H65 | 0.9500 |
C25—C26 | 1.318 (19) | C66—H66 | 0.9500 |
C25—H25 | 0.9500 | C71—C76 | 1.40 (2) |
C26—H26 | 0.9500 | C71—C72 | 1.40 (2) |
C31—C32 | 1.399 (17) | C71—H71 | 0.9500 |
C31—C36 | 1.428 (16) | C72—C73 | 1.33 (3) |
C32—C33 | 1.429 (18) | C72—H72 | 0.9500 |
C32—H32 | 0.9500 | C73—C74 | 1.48 (2) |
C33—C34 | 1.44 (2) | C73—H73 | 0.9500 |
C33—H33 | 0.9500 | C74—C75 | 1.39 (2) |
C34—C35 | 1.41 (2) | C74—H74 | 0.9500 |
C34—H34 | 0.9500 | C75—C76 | 1.38 (2) |
C35—C36 | 1.357 (17) | C75—H75 | 0.9500 |
C35—H35 | 0.9500 | C76—H76 | 0.9500 |
C36—H36 | 0.9500 | ||
O1—Pt1—O2 | 64.8 (3) | C35—C36—H36 | 119.6 |
O1—Pt1—P1 | 99.7 (3) | C31—C36—H36 | 119.6 |
O2—Pt1—P1 | 164.2 (2) | C42—C41—C46 | 121.0 (11) |
O1—Pt1—P2 | 162.1 (2) | C42—C41—P2 | 117.6 (8) |
O2—Pt1—P2 | 97.3 (2) | C46—C41—P2 | 121.0 (9) |
P1—Pt1—P2 | 98.16 (11) | C41—C42—C43 | 121.0 (10) |
C31—P1—C21 | 110.0 (5) | C41—C42—H42 | 119.5 |
C31—P1—C11 | 104.4 (5) | C43—C42—H42 | 119.5 |
C21—P1—C11 | 101.4 (5) | C44—C43—C42 | 117.4 (11) |
C31—P1—Pt1 | 111.0 (4) | C44—C43—H43 | 121.3 |
C21—P1—Pt1 | 117.6 (4) | C42—C43—H43 | 121.3 |
C11—P1—Pt1 | 111.3 (4) | C45—C44—C43 | 121.6 (12) |
C41—P2—C61 | 105.1 (6) | C45—C44—H44 | 119.2 |
C41—P2—C51 | 104.3 (5) | C43—C44—H44 | 119.2 |
C61—P2—C51 | 106.0 (5) | C44—C45—C46 | 120.6 (11) |
C41—P2—Pt1 | 108.1 (4) | C44—C45—H45 | 119.7 |
C61—P2—Pt1 | 123.5 (4) | C46—C45—H45 | 119.7 |
C51—P2—Pt1 | 108.3 (4) | C41—C46—C45 | 118.3 (11) |
O3—C1—O2 | 124.7 (12) | C41—C46—H46 | 120.9 |
O3—C1—O1 | 125.7 (11) | C45—C46—H46 | 120.9 |
O2—C1—O1 | 109.6 (9) | C56—C51—C52 | 119.9 (11) |
C1—O1—Pt1 | 92.6 (6) | C56—C51—P2 | 120.5 (8) |
C1—O2—Pt1 | 92.8 (7) | C52—C51—P2 | 119.5 (10) |
C16—C11—C12 | 117.6 (10) | C53—C52—C51 | 119.3 (12) |
C16—C11—P1 | 123.9 (9) | C53—C52—H52 | 120.4 |
C12—C11—P1 | 118.3 (8) | C51—C52—H52 | 120.4 |
C13—C12—C11 | 115.8 (11) | C54—C53—C52 | 120.3 (11) |
C13—C12—H12 | 122.1 | C54—C53—H53 | 119.9 |
C11—C12—H12 | 122.1 | C52—C53—H53 | 119.9 |
C12—C13—C14 | 128.9 (12) | C55—C54—C53 | 118.8 (12) |
C12—C13—H13 | 115.6 | C55—C54—H54 | 120.6 |
C14—C13—H13 | 115.6 | C53—C54—H54 | 120.6 |
C13—C14—C15 | 115.8 (11) | C54—C55—C56 | 122.1 (13) |
C13—C14—H14 | 122.1 | C54—C55—H55 | 118.9 |
C15—C14—H14 | 122.1 | C56—C55—H55 | 118.9 |
C16—C15—C14 | 119.3 (12) | C51—C56—C55 | 119.4 (11) |
C16—C15—H15 | 120.4 | C51—C56—H56 | 120.3 |
C14—C15—H15 | 120.4 | C55—C56—H56 | 120.3 |
C11—C16—C15 | 122.5 (12) | C66—C61—C62 | 117.9 (13) |
C11—C16—H16 | 118.8 | C66—C61—P2 | 120.5 (10) |
C15—C16—H16 | 118.8 | C62—C61—P2 | 121.5 (12) |
C22—C21—C26 | 118.4 (11) | C63—C62—C61 | 121.6 (15) |
C22—C21—P1 | 126.1 (10) | C63—C62—H62 | 119.2 |
C26—C21—P1 | 115.1 (8) | C61—C62—H62 | 119.2 |
C21—C22—C23 | 120.4 (12) | C64—C63—C62 | 120.1 (13) |
C21—C22—H22 | 119.8 | C64—C63—H63 | 120.0 |
C23—C22—H22 | 119.8 | C62—C63—H63 | 120.0 |
C24—C23—C22 | 119.3 (13) | C63—C64—C65 | 119.7 (13) |
C24—C23—H23 | 120.4 | C63—C64—H64 | 120.1 |
C22—C23—H23 | 120.4 | C65—C64—H64 | 120.1 |
C23—C24—C25 | 120.1 (14) | C66—C65—C64 | 119.5 (14) |
C23—C24—H24 | 120.0 | C66—C65—H65 | 120.3 |
C25—C24—H24 | 120.0 | C64—C65—H65 | 120.3 |
C26—C25—C24 | 123.8 (15) | C65—C66—C61 | 121.2 (13) |
C26—C25—H25 | 118.1 | C65—C66—H66 | 119.4 |
C24—C25—H25 | 118.1 | C61—C66—H66 | 119.4 |
C25—C26—C21 | 117.8 (11) | C76—C71—C72 | 119.2 (16) |
C25—C26—H26 | 121.1 | C76—C71—H71 | 120.4 |
C21—C26—H26 | 121.1 | C72—C71—H71 | 120.4 |
C32—C31—C36 | 118.4 (11) | C73—C72—C71 | 125.0 (18) |
C32—C31—P1 | 120.9 (9) | C73—C72—H72 | 117.5 |
C36—C31—P1 | 120.2 (9) | C71—C72—H72 | 117.5 |
C31—C32—C33 | 120.5 (11) | C72—C73—C74 | 116.3 (18) |
C31—C32—H32 | 119.8 | C72—C73—H73 | 121.8 |
C33—C32—H32 | 119.8 | C74—C73—H73 | 121.8 |
C34—C33—C32 | 119.8 (13) | C75—C74—C73 | 118.1 (16) |
C34—C33—H33 | 120.1 | C75—C74—H74 | 120.9 |
C32—C33—H33 | 120.1 | C73—C74—H74 | 120.9 |
C35—C34—C33 | 117.2 (12) | C76—C75—C74 | 123.5 (18) |
C35—C34—H34 | 121.4 | C76—C75—H75 | 118.3 |
C33—C34—H34 | 121.4 | C74—C75—H75 | 118.3 |
C36—C35—C34 | 122.9 (12) | C75—C76—C71 | 117.2 (16) |
C36—C35—H35 | 118.5 | C75—C76—H76 | 121.4 |
C34—C35—H35 | 118.5 | C71—C76—H76 | 121.4 |
C35—C36—C31 | 120.9 (11) | ||
O1—Pt1—P1—C31 | −99.3 (5) | C21—P1—C31—C36 | 125.1 (10) |
O2—Pt1—P1—C31 | −88.1 (10) | C11—P1—C31—C36 | −126.8 (10) |
P2—Pt1—P1—C31 | 79.4 (4) | Pt1—P1—C31—C36 | −6.8 (10) |
O1—Pt1—P1—C21 | 132.8 (4) | C36—C31—C32—C33 | −6.1 (17) |
O2—Pt1—P1—C21 | 144.0 (10) | P1—C31—C32—C33 | −177.8 (9) |
P2—Pt1—P1—C21 | −48.5 (4) | C31—C32—C33—C34 | 5.4 (18) |
O1—Pt1—P1—C11 | 16.4 (5) | C32—C33—C34—C35 | −3.5 (19) |
O2—Pt1—P1—C11 | 27.7 (11) | C33—C34—C35—C36 | 3 (2) |
P2—Pt1—P1—C11 | −164.8 (4) | C34—C35—C36—C31 | −3.6 (19) |
O1—Pt1—P2—C41 | −48.5 (10) | C32—C31—C36—C35 | 5.2 (18) |
O2—Pt1—P2—C41 | −47.8 (5) | P1—C31—C36—C35 | 176.9 (9) |
P1—Pt1—P2—C41 | 135.6 (4) | C61—P2—C41—C42 | 93.5 (10) |
O1—Pt1—P2—C61 | −171.6 (10) | C51—P2—C41—C42 | −155.2 (9) |
O2—Pt1—P2—C61 | −170.9 (6) | Pt1—P2—C41—C42 | −40.1 (10) |
P1—Pt1—P2—C61 | 12.5 (5) | C61—P2—C41—C46 | −79.6 (11) |
O1—Pt1—P2—C51 | 63.9 (10) | C51—P2—C41—C46 | 31.7 (11) |
O2—Pt1—P2—C51 | 64.6 (5) | Pt1—P2—C41—C46 | 146.7 (9) |
P1—Pt1—P2—C51 | −112.0 (4) | C46—C41—C42—C43 | −2.6 (19) |
O3—C1—O1—Pt1 | −174.7 (12) | P2—C41—C42—C43 | −175.7 (10) |
O2—C1—O1—Pt1 | 4.1 (9) | C41—C42—C43—C44 | 1.7 (19) |
O2—Pt1—O1—C1 | −2.7 (6) | C42—C43—C44—C45 | −1 (2) |
P1—Pt1—O1—C1 | 173.9 (6) | C43—C44—C45—C46 | 1 (2) |
P2—Pt1—O1—C1 | −2.0 (13) | C42—C41—C46—C45 | 2.5 (18) |
O3—C1—O2—Pt1 | 174.8 (12) | P2—C41—C46—C45 | 175.4 (10) |
O1—C1—O2—Pt1 | −4.1 (9) | C44—C45—C46—C41 | −1.7 (19) |
O1—Pt1—O2—C1 | 2.8 (6) | C41—P2—C51—C56 | 87.8 (11) |
P1—Pt1—O2—C1 | −9.5 (14) | C61—P2—C51—C56 | −161.5 (11) |
P2—Pt1—O2—C1 | −177.0 (6) | Pt1—P2—C51—C56 | −27.1 (11) |
C31—P1—C11—C16 | −114.0 (10) | C41—P2—C51—C52 | −91.9 (10) |
C21—P1—C11—C16 | 0.3 (11) | C61—P2—C51—C52 | 18.8 (11) |
Pt1—P1—C11—C16 | 126.2 (10) | Pt1—P2—C51—C52 | 153.2 (9) |
C31—P1—C11—C12 | 60.3 (10) | C56—C51—C52—C53 | 0.2 (18) |
C21—P1—C11—C12 | 174.6 (9) | P2—C51—C52—C53 | 179.9 (9) |
Pt1—P1—C11—C12 | −59.5 (9) | C51—C52—C53—C54 | −3.4 (19) |
C16—C11—C12—C13 | −2.2 (16) | C52—C53—C54—C55 | 5 (2) |
P1—C11—C12—C13 | −176.8 (8) | C53—C54—C55—C56 | −4 (2) |
C11—C12—C13—C14 | 3.4 (18) | C52—C51—C56—C55 | 1.2 (19) |
C12—C13—C14—C15 | −4.9 (19) | P2—C51—C56—C55 | −178.4 (10) |
C13—C14—C15—C16 | 5.1 (18) | C54—C55—C56—C51 | 0 (2) |
C12—C11—C16—C15 | 3.0 (18) | C41—P2—C61—C66 | −20.3 (12) |
P1—C11—C16—C15 | 177.3 (10) | C51—P2—C61—C66 | −130.4 (11) |
C14—C15—C16—C11 | −5 (2) | Pt1—P2—C61—C66 | 104.1 (11) |
C31—P1—C21—C22 | 15.1 (12) | C41—P2—C61—C62 | 162.7 (10) |
C11—P1—C21—C22 | −94.9 (10) | C51—P2—C61—C62 | 52.6 (11) |
Pt1—P1—C21—C22 | 143.5 (9) | Pt1—P2—C61—C62 | −72.9 (11) |
C31—P1—C21—C26 | −172.1 (8) | C66—C61—C62—C63 | 2.7 (18) |
C11—P1—C21—C26 | 77.9 (9) | P2—C61—C62—C63 | 179.7 (9) |
Pt1—P1—C21—C26 | −43.7 (9) | C61—C62—C63—C64 | −2.2 (19) |
C26—C21—C22—C23 | 0.5 (17) | C62—C63—C64—C65 | 2 (2) |
P1—C21—C22—C23 | 173.1 (9) | C63—C64—C65—C66 | −2 (2) |
C21—C22—C23—C24 | 3.0 (19) | C64—C65—C66—C61 | 3 (2) |
C22—C23—C24—C25 | −5 (2) | C62—C61—C66—C65 | −3 (2) |
C23—C24—C25—C26 | 4 (2) | P2—C61—C66—C65 | 179.9 (11) |
C24—C25—C26—C21 | 0 (2) | C76—C71—C72—C73 | −1 (3) |
C22—C21—C26—C25 | −2.0 (17) | C71—C72—C73—C74 | 7 (3) |
P1—C21—C26—C25 | −175.4 (11) | C72—C73—C74—C75 | −6 (2) |
C21—P1—C31—C32 | −63.4 (10) | C73—C74—C75—C76 | 0 (2) |
C11—P1—C31—C32 | 44.7 (10) | C74—C75—C76—C71 | 7 (2) |
Pt1—P1—C31—C32 | 164.7 (8) | C72—C71—C76—C75 | −6 (2) |