Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680302720X/cf6302sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S160053680302720X/cf6302Isup2.hkl |
CCDC reference: 231805
Key indicators
- Single-crystal X-ray study
- T = 145 K
- Mean (C-C) = 0.020 Å
- R factor = 0.092
- wR factor = 0.221
- Data-to-parameter ratio = 16.0
checkCIF/PLATON results
No syntax errors found
Alert level A PLAT201_ALERT_2_A Isotropic non-H Atoms in Main Residue(s) ..... = 36
Author Response: The data do not support anisotropic refinement of C atoms. All C atoms refined with isotropic displacement parameters. |
Alert level B DIFMX01_ALERT_2_B The maximum difference density is > 0.1*ZMAX*1.00 _refine_diff_density_max given = 11.856 Test value = 7.800 PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low ....... 0.98 PLAT097_ALERT_2_B Maximum (Positive) Residual Density ............ 11.86 e/A 3
Alert level C DIFMX02_ALERT_1_C The minimum difference density is > 0.1*ZMAX*0.75 The relevant atom site should be identified. PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.38 PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.09 Ratio PLAT244_ALERT_4_C Low Solvent U(eq) as Compared to Neighbors .... Cl2 PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 20
Alert level G REFLT03_ALERT_4_G WARNING: Large fraction of Friedel related reflns may be needed to determine absolute structure From the CIF: _diffrn_reflns_theta_max 73.86 From the CIF: _reflns_number_total 3784 Count of symmetry unique reflns 3854 Completeness (_total/calc) 98.18% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 0 Fraction of Friedel pairs measured 0.000 Are heavy atom types Z>Si present yes
1 ALERT level A = In general: serious problem 3 ALERT level B = Potentially serious problem 5 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 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 2 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: CAD-4F Software (Enraf-Nonius, 1989); cell refinement: CAD-4F Software; data reduction: DATARED (Norrestam & Nielsen, 1982) and, ADDREF and SORTRF in Xtal3.2 (Hall et al., 1992); program(s) used to solve structure: SHELXTL (Sheldrick, 2000); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.
[PtCl(C36H37P3)]ClO4 | F(000) = 1768 |
Mr = 892.56 | Dx = 1.751 Mg m−3 Dm = 1.70 Mg m−3 Dm measured by flotation in CCl4 and CH2ClBr at 293 K |
Orthorhombic, P212121 | Cu Kα radiation, λ = 1.5418 Å |
Hall symbol: P 2ac 2ab | Cell parameters from 25 reflections |
a = 10.256 (3) Å | θ = 17.7–22.2° |
b = 15.738 (5) Å | µ = 10.87 mm−1 |
c = 20.980 (6) Å | T = 145 K |
V = 3386.4 (18) Å3 | Prism, colourless |
Z = 4 | 0.21 × 0.21 × 0.07 mm |
Enraf Nonius CAD-4F diffractometer | 3702 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.000 |
Graphite monochromator | θmax = 73.9°, θmin = 3.5° |
profile data from ω/2θ scans | h = 0→11 |
Absorption correction: integration (ABSORB in Xtal3.2; Hall et al., 1992) | k = 0→19 |
Tmin = 0.147, Tmax = 0.530 | l = 0→26 |
3784 measured reflections | 3 standard reflections every 100 reflections |
3784 independent reflections | intensity decay: none |
Refinement on F2 | Hydrogen site location: inferred from neighbouring sites |
Least-squares matrix: full | H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.092 | w = 1/[σ2(Fo2) + (0.1922P)2] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.221 | (Δ/σ)max = 0.001 |
S = 1.13 | Δρmax = 11.86 e Å−3 |
3784 reflections | Δρmin = −4.98 e Å−3 |
236 parameters | Extinction correction: SHELXTL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
0 restraints | Extinction coefficient: 0.0016 (2) |
Primary atom site location: structure-invariant direct methods | Absolute structure: Flack (1983); no Friedel pairs |
Secondary atom site location: difference Fourier map | Absolute structure parameter: −0.02 (2) |
Experimental. Unique octant of reflections only |
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 | 0.17948 (5) | 0.53127 (3) | 0.32629 (2) | 0.0119 (3) | |
Cl1 | 0.1161 (3) | 0.40213 (19) | 0.27773 (14) | 0.0195 (6) | |
P1 | 0.2380 (3) | 0.65341 (19) | 0.37297 (14) | 0.0140 (6) | |
P2 | 0.1059 (3) | 0.5982 (2) | 0.23497 (13) | 0.0141 (6) | |
P3 | 0.2712 (3) | 0.4528 (2) | 0.40731 (14) | 0.0139 (7) | |
C1 | 0.1374 (16) | 0.7435 (9) | 0.3541 (7) | 0.022 (3)* | |
H1A | 0.0472 | 0.7319 | 0.3685 | 0.026* | |
H1B | 0.1697 | 0.7935 | 0.3780 | 0.026* | |
C2 | 0.1346 (15) | 0.7655 (8) | 0.2822 (6) | 0.019 (3)* | |
H2A | 0.1036 | 0.8246 | 0.2769 | 0.023* | |
H2B | 0.2244 | 0.7623 | 0.2651 | 0.023* | |
C3 | 0.0473 (15) | 0.7066 (8) | 0.2439 (6) | 0.019 (3)* | |
H3A | 0.0355 | 0.7313 | 0.2008 | 0.023* | |
H3B | −0.0395 | 0.7048 | 0.2645 | 0.023* | |
C4 | 0.2342 (15) | 0.6549 (9) | 0.4595 (6) | 0.019 (3)* | |
H4A | 0.2567 | 0.7128 | 0.4743 | 0.022* | |
H4B | 0.1441 | 0.6426 | 0.4738 | 0.022* | |
C5 | 0.3275 (15) | 0.5910 (9) | 0.4913 (7) | 0.022 (3)* | |
H5A | 0.4139 | 0.5951 | 0.4705 | 0.026* | |
H5B | 0.3384 | 0.6067 | 0.5367 | 0.026* | |
C6 | 0.2803 (14) | 0.5002 (8) | 0.4874 (6) | 0.016 (2)* | |
H6A | 0.1924 | 0.4974 | 0.5068 | 0.019* | |
H6B | 0.3388 | 0.4646 | 0.5138 | 0.019* | |
C21 | 0.4053 (13) | 0.6875 (8) | 0.3525 (6) | 0.015 (2)* | |
C22 | 0.4647 (16) | 0.7529 (9) | 0.3856 (7) | 0.025 (3)* | |
H22A | 0.4209 | 0.7776 | 0.4210 | 0.029* | |
C23 | 0.5812 (17) | 0.7821 (10) | 0.3691 (7) | 0.025 (3)* | |
H23A | 0.6211 | 0.8256 | 0.3937 | 0.031* | |
C24 | 0.6462 (18) | 0.7491 (10) | 0.3155 (7) | 0.030 (3)* | |
H24A | 0.7272 | 0.7722 | 0.3021 | 0.036* | |
C25 | 0.5904 (19) | 0.6832 (11) | 0.2833 (8) | 0.034 (4)* | |
H25A | 0.6353 | 0.6575 | 0.2487 | 0.040* | |
C26 | 0.4663 (17) | 0.6532 (10) | 0.3013 (7) | 0.027 (3)* | |
H26A | 0.4256 | 0.6092 | 0.2776 | 0.032* | |
C31 | 0.2410 (13) | 0.6027 (8) | 0.1790 (5) | 0.015 (2)* | |
C32 | 0.2714 (15) | 0.6751 (9) | 0.1445 (6) | 0.020 (3)* | |
H32A | 0.2180 | 0.7243 | 0.1473 | 0.024* | |
C33 | 0.3820 (17) | 0.6747 (9) | 0.1054 (7) | 0.026 (3)* | |
H33A | 0.4069 | 0.7252 | 0.0838 | 0.031* | |
C34 | 0.4557 (16) | 0.6018 (9) | 0.0977 (7) | 0.026 (3)* | |
H34A | 0.5299 | 0.6021 | 0.0707 | 0.031* | |
C35 | 0.4204 (15) | 0.5282 (9) | 0.1298 (6) | 0.021 (3)* | |
H35A | 0.4707 | 0.4780 | 0.1240 | 0.025* | |
C36 | 0.3142 (14) | 0.5262 (8) | 0.1700 (6) | 0.020 (3)* | |
H36A | 0.2901 | 0.4752 | 0.1913 | 0.024* | |
C41 | −0.0279 (13) | 0.5456 (7) | 0.1934 (5) | 0.011 (2)* | |
C42 | −0.1516 (15) | 0.5423 (9) | 0.2219 (7) | 0.022 (3)* | |
H42A | −0.1646 | 0.5651 | 0.2634 | 0.026* | |
C43 | −0.2524 (17) | 0.5064 (9) | 0.1901 (7) | 0.024 (3)* | |
H43A | −0.3364 | 0.5052 | 0.2092 | 0.029* | |
C44 | −0.2345 (16) | 0.4704 (10) | 0.1287 (7) | 0.025 (3)* | |
H44A | −0.3062 | 0.4466 | 0.1063 | 0.031* | |
C45 | −0.1110 (15) | 0.4706 (8) | 0.1019 (6) | 0.020 (3)* | |
H45A | −0.0972 | 0.4458 | 0.0611 | 0.024* | |
C46 | −0.0067 (14) | 0.5072 (8) | 0.1347 (6) | 0.016 (2)* | |
H46A | 0.0784 | 0.5059 | 0.1169 | 0.020* | |
C51 | 0.4339 (14) | 0.4257 (8) | 0.3848 (6) | 0.016 (2)* | |
C52 | 0.4549 (16) | 0.3873 (9) | 0.3239 (7) | 0.025 (3)* | |
H52A | 0.3824 | 0.3711 | 0.2985 | 0.030* | |
C53 | 0.5787 (18) | 0.3736 (10) | 0.3021 (7) | 0.029 (3)* | |
H53A | 0.5902 | 0.3495 | 0.2610 | 0.034* | |
C54 | 0.6885 (18) | 0.3938 (10) | 0.3379 (7) | 0.030 (3)* | |
H54A | 0.7735 | 0.3853 | 0.3211 | 0.035* | |
C55 | 0.6713 (16) | 0.4271 (9) | 0.4000 (7) | 0.024 (3)* | |
H55A | 0.7449 | 0.4388 | 0.4260 | 0.029* | |
C56 | 0.5460 (16) | 0.4428 (9) | 0.4229 (7) | 0.025 (3)* | |
H56A | 0.5352 | 0.4653 | 0.4646 | 0.030* | |
C61 | 0.1842 (13) | 0.3557 (7) | 0.4219 (5) | 0.012 (2)* | |
C62 | 0.0480 (16) | 0.3630 (9) | 0.4346 (6) | 0.022 (3)* | |
H62A | 0.0072 | 0.4172 | 0.4353 | 0.026* | |
C63 | −0.0234 (15) | 0.2911 (8) | 0.4457 (6) | 0.020 (3)* | |
H63A | −0.1138 | 0.2970 | 0.4543 | 0.024* | |
C64 | 0.0295 (17) | 0.2100 (9) | 0.4450 (7) | 0.025 (3)* | |
H64A | −0.0231 | 0.1613 | 0.4523 | 0.030* | |
C65 | 0.1632 (17) | 0.2026 (10) | 0.4332 (7) | 0.030 (3)* | |
H65A | 0.2021 | 0.1478 | 0.4321 | 0.035* | |
C66 | 0.2410 (16) | 0.2751 (8) | 0.4229 (6) | 0.023 (3)* | |
H66A | 0.3323 | 0.2692 | 0.4167 | 0.027* | |
Cl2 | 0.8514 (4) | 0.6188 (2) | 0.44980 (17) | 0.0255 (7) | |
O1 | 0.7168 (14) | 0.6165 (9) | 0.4675 (7) | 0.044 (3) | |
O2 | 0.9034 (15) | 0.7027 (8) | 0.4581 (6) | 0.043 (3) | |
O3 | 0.8738 (15) | 0.5954 (10) | 0.3862 (5) | 0.047 (3) | |
O4 | 0.9200 (16) | 0.5598 (11) | 0.4908 (8) | 0.059 (4) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Pt1 | 0.0098 (4) | 0.0135 (4) | 0.0126 (4) | −0.00043 (18) | −0.00167 (17) | −0.00057 (16) |
Cl1 | 0.0189 (15) | 0.0186 (13) | 0.0212 (13) | −0.0039 (13) | −0.0059 (12) | −0.0033 (11) |
P1 | 0.0158 (16) | 0.0123 (13) | 0.0140 (13) | −0.0020 (13) | −0.0022 (12) | −0.0005 (11) |
P2 | 0.0107 (14) | 0.0194 (14) | 0.0123 (12) | −0.0006 (13) | −0.0001 (11) | −0.0019 (11) |
P3 | 0.0125 (16) | 0.0151 (13) | 0.0141 (14) | −0.0001 (12) | −0.0024 (12) | 0.0006 (11) |
Cl2 | 0.0226 (18) | 0.0300 (16) | 0.0240 (15) | −0.0031 (14) | 0.0078 (13) | −0.0026 (13) |
O1 | 0.025 (7) | 0.057 (8) | 0.050 (7) | 0.003 (6) | 0.021 (6) | 0.005 (6) |
O2 | 0.045 (8) | 0.034 (6) | 0.049 (7) | −0.012 (6) | 0.006 (6) | −0.013 (6) |
O3 | 0.050 (8) | 0.063 (8) | 0.029 (6) | −0.019 (8) | 0.009 (6) | −0.012 (6) |
O4 | 0.036 (8) | 0.075 (10) | 0.065 (9) | 0.019 (8) | 0.010 (8) | 0.029 (8) |
Pt1—P1 | 2.239 (3) | C33—C34 | 1.38 (2) |
Pt1—P3 | 2.302 (3) | C33—H33A | 0.950 |
Pt1—P2 | 2.313 (3) | C34—C35 | 1.39 (2) |
Pt1—Cl1 | 2.365 (3) | C34—H34A | 0.950 |
P1—C1 | 1.798 (15) | C35—C36 | 1.379 (19) |
P1—C4 | 1.816 (13) | C35—H35A | 0.950 |
P1—C21 | 1.849 (14) | C36—H36A | 0.950 |
P2—C31 | 1.818 (13) | C41—C46 | 1.389 (16) |
P2—C3 | 1.819 (14) | C41—C42 | 1.404 (19) |
P2—C41 | 1.824 (13) | C42—C43 | 1.35 (2) |
P3—C51 | 1.787 (14) | C42—H42A | 0.950 |
P3—C61 | 1.796 (13) | C43—C44 | 1.419 (19) |
P3—C6 | 1.841 (13) | C43—H43A | 0.950 |
C1—C2 | 1.547 (18) | C44—C45 | 1.39 (2) |
C1—H1A | 0.990 | C44—H44A | 0.950 |
C1—H1B | 0.990 | C45—C46 | 1.396 (19) |
C2—C3 | 1.519 (18) | C45—H45A | 0.950 |
C2—H2A | 0.990 | C46—H46A | 0.950 |
C2—H2B | 0.990 | C51—C56 | 1.43 (2) |
C3—H3A | 0.990 | C51—C52 | 1.429 (18) |
C3—H3B | 0.990 | C52—C53 | 1.37 (2) |
C4—C5 | 1.540 (19) | C52—H52A | 0.950 |
C4—H4A | 0.990 | C53—C54 | 1.39 (2) |
C4—H4B | 0.990 | C53—H53A | 0.950 |
C5—C6 | 1.511 (18) | C54—C55 | 1.42 (2) |
C5—H5A | 0.990 | C54—H54A | 0.950 |
C5—H5B | 0.990 | C55—C56 | 1.39 (2) |
C6—H6A | 0.990 | C55—H55A | 0.950 |
C6—H6B | 0.990 | C56—H56A | 0.950 |
C21—C26 | 1.354 (19) | C61—C66 | 1.395 (17) |
C21—C22 | 1.384 (19) | C61—C62 | 1.43 (2) |
C22—C23 | 1.33 (2) | C62—C63 | 1.37 (2) |
C22—H22A | 0.950 | C62—H62A | 0.950 |
C23—C24 | 1.41 (2) | C63—C64 | 1.39 (2) |
C23—H23A | 0.950 | C63—H63A | 0.950 |
C24—C25 | 1.36 (2) | C64—C65 | 1.40 (2) |
C24—H24A | 0.950 | C64—H64A | 0.950 |
C25—C26 | 1.41 (2) | C65—C66 | 1.41 (2) |
C25—H25A | 0.950 | C65—H65A | 0.950 |
C26—H26A | 0.950 | C66—H66A | 0.950 |
C31—C32 | 1.386 (17) | Cl2—O3 | 1.403 (12) |
C31—C36 | 1.431 (18) | Cl2—O1 | 1.430 (13) |
C32—C33 | 1.40 (2) | Cl2—O2 | 1.434 (12) |
C32—H32A | 0.950 | Cl2—O4 | 1.448 (15) |
P1—Pt1—P3 | 91.62 (11) | C32—C31—C36 | 120.4 (12) |
P1—Pt1—P2 | 93.38 (11) | C32—C31—P2 | 122.7 (10) |
P3—Pt1—P2 | 171.59 (11) | C36—C31—P2 | 116.8 (9) |
P1—Pt1—Cl1 | 179.46 (12) | C31—C32—C33 | 118.9 (13) |
P3—Pt1—Cl1 | 88.24 (11) | C31—C32—H32A | 120.5 |
P2—Pt1—Cl1 | 86.82 (11) | C33—C32—H32A | 120.5 |
C1—P1—C4 | 101.4 (7) | C34—C33—C32 | 121.0 (14) |
C1—P1—C21 | 104.6 (7) | C34—C33—H33A | 119.5 |
C4—P1—C21 | 104.4 (6) | C32—C33—H33A | 119.5 |
C1—P1—Pt1 | 115.3 (5) | C33—C34—C35 | 119.6 (15) |
C4—P1—Pt1 | 116.3 (5) | C33—C34—H34A | 120.2 |
C21—P1—Pt1 | 113.3 (4) | C35—C34—H34A | 120.2 |
C31—P2—C3 | 106.3 (6) | C36—C35—C34 | 121.4 (14) |
C31—P2—C41 | 106.4 (6) | C36—C35—H35A | 119.3 |
C3—P2—C41 | 103.0 (6) | C34—C35—H35A | 119.3 |
C31—P2—Pt1 | 107.7 (4) | C35—C36—C31 | 118.4 (12) |
C3—P2—Pt1 | 116.7 (4) | C35—C36—H36A | 120.8 |
C41—P2—Pt1 | 115.8 (4) | C31—C36—H36A | 120.8 |
C51—P3—C61 | 107.8 (6) | C46—C41—C42 | 120.2 (12) |
C51—P3—C6 | 106.9 (6) | C46—C41—P2 | 120.3 (10) |
C61—P3—C6 | 102.4 (6) | C42—C41—P2 | 119.5 (9) |
C51—P3—Pt1 | 108.3 (4) | C43—C42—C41 | 119.7 (13) |
C61—P3—Pt1 | 112.3 (4) | C43—C42—H42A | 120.1 |
C6—P3—Pt1 | 118.5 (4) | C41—C42—H42A | 120.1 |
C2—C1—P1 | 113.7 (10) | C42—C43—C44 | 121.0 (14) |
C2—C1—H1A | 108.8 | C42—C43—H43A | 119.5 |
P1—C1—H1A | 108.8 | C44—C43—H43A | 119.5 |
C2—C1—H1B | 108.8 | C45—C44—C43 | 119.1 (14) |
P1—C1—H1B | 108.8 | C45—C44—H44A | 120.4 |
H1A—C1—H1B | 107.7 | C43—C44—H44A | 120.4 |
C3—C2—C1 | 113.0 (11) | C44—C45—C46 | 120.0 (13) |
C3—C2—H2A | 109.0 | C44—C45—H45A | 120.0 |
C1—C2—H2A | 109.0 | C46—C45—H45A | 120.0 |
C3—C2—H2B | 109.0 | C41—C46—C45 | 119.8 (13) |
C1—C2—H2B | 109.0 | C41—C46—H46A | 120.1 |
H2A—C2—H2B | 107.8 | C45—C46—H46A | 120.1 |
C2—C3—P2 | 115.6 (10) | C56—C51—C52 | 117.3 (13) |
C2—C3—H3A | 108.4 | C56—C51—P3 | 124.1 (10) |
P2—C3—H3A | 108.4 | C52—C51—P3 | 118.5 (11) |
C2—C3—H3B | 108.4 | C53—C52—C51 | 120.4 (14) |
P2—C3—H3B | 108.4 | C53—C52—H52A | 119.8 |
H3A—C3—H3B | 107.4 | C51—C52—H52A | 119.8 |
C5—C4—P1 | 114.3 (10) | C52—C53—C54 | 122.3 (14) |
C5—C4—H4A | 108.7 | C52—C53—H53A | 118.8 |
P1—C4—H4A | 108.7 | C54—C53—H53A | 118.8 |
C5—C4—H4B | 108.7 | C53—C54—C55 | 118.7 (16) |
P1—C4—H4B | 108.7 | C53—C54—H54A | 120.6 |
H4A—C4—H4B | 107.6 | C55—C54—H54A | 120.6 |
C6—C5—C4 | 113.3 (12) | C56—C55—C54 | 119.9 (15) |
C6—C5—H5A | 108.9 | C56—C55—H55A | 120.1 |
C4—C5—H5A | 108.9 | C54—C55—H55A | 120.1 |
C6—C5—H5B | 108.9 | C55—C56—C51 | 121.1 (13) |
C4—C5—H5B | 108.9 | C55—C56—H56A | 119.4 |
H5A—C5—H5B | 107.7 | C51—C56—H56A | 119.4 |
C5—C6—P3 | 116.6 (9) | C66—C61—C62 | 118.6 (13) |
C5—C6—H6A | 108.1 | C66—C61—P3 | 124.7 (11) |
P3—C6—H6A | 108.1 | C62—C61—P3 | 116.7 (10) |
C5—C6—H6B | 108.1 | C63—C62—C61 | 119.3 (13) |
P3—C6—H6B | 108.1 | C63—C62—H62A | 120.4 |
H6A—C6—H6B | 107.3 | C61—C62—H62A | 120.4 |
C26—C21—C22 | 119.4 (14) | C62—C63—C64 | 123.4 (15) |
C26—C21—P1 | 119.9 (11) | C62—C63—H63A | 118.3 |
C22—C21—P1 | 120.5 (11) | C64—C63—H63A | 118.3 |
C23—C22—C21 | 121.5 (15) | C63—C64—C65 | 117.5 (15) |
C23—C22—H22A | 119.3 | C63—C64—H64A | 121.2 |
C21—C22—H22A | 119.3 | C65—C64—H64A | 121.2 |
C22—C23—C24 | 120.5 (15) | C64—C65—C66 | 121.0 (15) |
C22—C23—H23A | 119.7 | C64—C65—H65A | 119.5 |
C24—C23—H23A | 119.7 | C66—C65—H65A | 119.5 |
C25—C24—C23 | 118.6 (17) | C61—C66—C65 | 120.1 (14) |
C25—C24—H24A | 120.7 | C61—C66—H66A | 119.9 |
C23—C24—H24A | 120.7 | C65—C66—H66A | 119.9 |
C24—C25—C26 | 120.0 (16) | O3—Cl2—O1 | 113.4 (9) |
C24—C25—H25A | 120.0 | O3—Cl2—O2 | 107.3 (8) |
C26—C25—H25A | 120.0 | O1—Cl2—O2 | 110.6 (9) |
C21—C26—C25 | 119.8 (15) | O3—Cl2—O4 | 108.4 (10) |
C21—C26—H26A | 120.1 | O1—Cl2—O4 | 107.4 (9) |
C25—C26—H26A | 120.1 | O2—Cl2—O4 | 109.8 (11) |
P3—Pt1—P1—C1 | −153.4 (5) | C41—P2—C31—C36 | −78.1 (11) |
P2—Pt1—P1—C1 | 33.3 (6) | Pt1—P2—C31—C36 | 46.7 (11) |
P3—Pt1—P1—C4 | −34.9 (6) | C36—C31—C32—C33 | −6 (2) |
P2—Pt1—P1—C4 | 151.8 (6) | P2—C31—C32—C33 | 176.0 (11) |
P3—Pt1—P1—C21 | 86.1 (4) | C31—C32—C33—C34 | 4 (2) |
P2—Pt1—P1—C21 | −87.2 (4) | C32—C33—C34—C35 | −1 (2) |
P1—Pt1—P2—C31 | 91.6 (4) | C33—C34—C35—C36 | −1 (2) |
Cl1—Pt1—P2—C31 | −88.9 (4) | C34—C35—C36—C31 | −1 (2) |
P1—Pt1—P2—C3 | −27.8 (6) | C32—C31—C36—C35 | 4 (2) |
Cl1—Pt1—P2—C3 | 151.7 (6) | P2—C31—C36—C35 | −177.5 (10) |
P1—Pt1—P2—C41 | −149.5 (5) | C31—P2—C41—C46 | 9.6 (12) |
Cl1—Pt1—P2—C41 | 30.0 (5) | C3—P2—C41—C46 | 121.3 (11) |
P1—Pt1—P3—C51 | −93.7 (5) | Pt1—P2—C41—C46 | −110.0 (10) |
Cl1—Pt1—P3—C51 | 86.8 (5) | C31—P2—C41—C42 | −172.1 (10) |
P1—Pt1—P3—C61 | 147.3 (4) | C3—P2—C41—C42 | −60.4 (11) |
Cl1—Pt1—P3—C61 | −32.1 (4) | Pt1—P2—C41—C42 | 68.3 (11) |
P1—Pt1—P3—C6 | 28.2 (5) | C46—C41—C42—C43 | −4 (2) |
Cl1—Pt1—P3—C6 | −151.3 (5) | P2—C41—C42—C43 | 177.4 (11) |
C4—P1—C1—C2 | 173.3 (11) | C41—C42—C43—C44 | 1 (2) |
C21—P1—C1—C2 | 64.9 (12) | C42—C43—C44—C45 | 2 (2) |
Pt1—P1—C1—C2 | −60.3 (12) | C43—C44—C45—C46 | −1 (2) |
P1—C1—C2—C3 | 77.5 (15) | C42—C41—C46—C45 | 4.7 (19) |
C1—C2—C3—P2 | −69.9 (14) | P2—C41—C46—C45 | −177.1 (9) |
C31—P2—C3—C2 | −73.1 (11) | C44—C45—C46—C41 | −2 (2) |
C41—P2—C3—C2 | 175.3 (10) | C61—P3—C51—C56 | −111.9 (12) |
Pt1—P2—C3—C2 | 47.1 (11) | C6—P3—C51—C56 | −2.5 (13) |
C1—P1—C4—C5 | −172.4 (10) | Pt1—P3—C51—C56 | 126.3 (11) |
C21—P1—C4—C5 | −63.8 (11) | C61—P3—C51—C52 | 70.5 (12) |
Pt1—P1—C4—C5 | 61.8 (11) | C6—P3—C51—C52 | 179.9 (10) |
P1—C4—C5—C6 | −74.7 (13) | Pt1—P3—C51—C52 | −51.3 (11) |
C4—C5—C6—P3 | 65.6 (14) | C56—C51—C52—C53 | −5 (2) |
C51—P3—C6—C5 | 77.2 (11) | P3—C51—C52—C53 | 173.2 (12) |
C61—P3—C6—C5 | −169.6 (10) | C51—C52—C53—C54 | 2 (2) |
Pt1—P3—C6—C5 | −45.4 (12) | C52—C53—C54—C55 | 2 (2) |
C1—P1—C21—C26 | −109.4 (12) | C53—C54—C55—C56 | −3 (2) |
C4—P1—C21—C26 | 144.5 (12) | C54—C55—C56—C51 | 0 (2) |
Pt1—P1—C21—C26 | 17.0 (13) | C52—C51—C56—C55 | 4 (2) |
C1—P1—C21—C22 | 65.0 (12) | P3—C51—C56—C55 | −174.0 (12) |
C4—P1—C21—C22 | −41.1 (13) | C51—P3—C61—C66 | 7.3 (13) |
Pt1—P1—C21—C22 | −168.6 (10) | C6—P3—C61—C66 | −105.2 (12) |
C26—C21—C22—C23 | −1 (2) | Pt1—P3—C61—C66 | 126.6 (10) |
P1—C21—C22—C23 | −175.6 (11) | C51—P3—C61—C62 | −174.1 (10) |
C21—C22—C23—C24 | 2 (2) | C6—P3—C61—C62 | 73.4 (11) |
C22—C23—C24—C25 | −4 (2) | Pt1—P3—C61—C62 | −54.8 (10) |
C23—C24—C25—C26 | 4 (3) | C66—C61—C62—C63 | −1.6 (19) |
C22—C21—C26—C25 | 1 (2) | P3—C61—C62—C63 | 179.6 (10) |
P1—C21—C26—C25 | 175.9 (11) | C61—C62—C63—C64 | 0 (2) |
C24—C25—C26—C21 | −3 (2) | C62—C63—C64—C65 | 1 (2) |
C3—P2—C31—C32 | −9.4 (13) | C63—C64—C65—C66 | 1 (2) |
C41—P2—C31—C32 | 100.0 (12) | C62—C61—C66—C65 | 3 (2) |
Pt1—P2—C31—C32 | −135.2 (10) | P3—C61—C66—C65 | −178.3 (11) |
C3—P2—C31—C36 | 172.6 (10) | C64—C65—C66—C61 | −3 (2) |
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