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metal-organic compounds
The title complex, [RhClH2(C18H15P)3]·0.5CH2Cl2, has distorted octahedral coordination of Rh as a consequence of the bulk of the phosphine ligands and the relatively small size of hydride ligands; the latter were not directly located in the crystallographic analysis. The dichloromethane solvent molecule is disordered.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536802012266/bt6164sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536802012266/bt6164Isup2.hkl |
CCDC reference: 193703
Key indicators
- Single-crystal X-ray study
- T = 298 K
- Mean (C-C) = 0.008 Å
- H-atom completeness 96%
- Disorder in solvent or counterion
- R factor = 0.038
- wR factor = 0.109
- Data-to-parameter ratio = 10.9
checkCIF results
No syntax errors found ADDSYM reports no extra symmetry
Alert Level A:
THETM_01 Alert A The value of sine(theta_max)/wavelength is less than 0.550 Calculated sin(theta_max)/wavelength = 0.5393
Author response: Data above \q=22.5\% were weak and the data collection was limited to this maximum value. |
Alert Level C:
PLAT_302 Alert C Anion/Solvent Disorder ....................... 25.00 Perc. General Notes
FORMU_01 There is a discrepancy between the atom counts in the _chemical_formula_sum and the formula from the _atom_site* data. Atom count from _chemical_formula_sum:C54.5 H48 Cl2 P3 Rh1 Atom count from the _atom_site data: C54.5 H46 Cl2 P3 Rh1 CELLZ_01 From the CIF: _cell_formula_units_Z 2 From the CIF: _chemical_formula_sum C54.50 H48 Cl2 P3 Rh TEST: Compare cell contents of formula and atom_site data atom Z*formula cif sites diff C 109.00 109.00 0.00 H 96.00 92.00 4.00 Cl 4.00 4.00 0.00 P 6.00 6.00 0.00 Rh 2.00 2.00 0.00 Difference between formula and atom_site contents detected. WARNING: H atoms missing from atom site list. Is this intentional?
1 Alert Level A = Potentially serious problem
0 Alert Level B = Potential problem
1 Alert Level C = Please check
Computing details top
Data collection: DIF4 (Stoe & Cie, 1988); cell refinement: DIF4; data reduction: local programs; program(s) used to solve structure: SHELXTL (Sheldrick, 1997); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL and local programs.
Chloro-cis-dihydro-mer-tris(triphenylphosphine)rhodium(III)
dichloromethane hemisolvate top
Crystal data top
[RhClH2(C18H15P)3]·0.5CH2Cl2 | Z = 2 |
Mr = 969.6 | F(000) = 998 |
Triclinic, P1 | Dx = 1.409 Mg m−3 |
a = 9.390 (5) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 12.581 (6) Å | Cell parameters from 31 reflections |
c = 20.096 (10) Å | θ = 10.2–12.5° |
α = 83.30 (5)° | µ = 0.63 mm−1 |
β = 83.42 (4)° | T = 298 K |
γ = 76.64 (4)° | Block, yellow |
V = 2285 (2) Å3 | 0.23 × 0.20 × 0.13 mm |
Data collection top
Stoe–Siemens diffractometer | 4522 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.057 |
Graphite monochromator | θmax = 22.5°, θmin = 2.5° |
ω/θ scans | h = −9→10 |
Absorption correction: ψ scan (XPREP in SHELXTL; Sheldrick, 1997) | k = −13→13 |
Tmin = 0.86, Tmax = 0.96 | l = −11→21 |
6142 measured reflections | 5 standard reflections every 60 min |
5972 independent reflections | intensity decay: 1% |
Refinement top
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)] = 0.039 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.109 | H-atom parameters constrained |
S = 1.06 | w = 1/[σ2(Fo2) + (0.0655P)2 + 1.2789P] where P = (Fo2 + 2Fc2)/3 |
5972 reflections | (Δ/σ)max < 0.001 |
550 parameters | Δρmax = 1.50 e Å−3 |
0 restraints | Δρmin = −0.68 e Å−3 |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Rh | 0.03045 (4) | 0.33940 (3) | 0.208811 (18) | 0.02477 (13) | |
Cl1 | −0.23926 (12) | 0.40140 (9) | 0.22842 (6) | 0.0358 (3) | |
P1 | 0.02353 (12) | 0.52628 (9) | 0.20231 (6) | 0.0260 (3) | |
C1 | 0.1955 (5) | 0.5751 (4) | 0.1838 (2) | 0.0301 (11) | |
C2 | 0.2093 (6) | 0.6763 (4) | 0.2000 (3) | 0.0430 (13) | |
H2 | 0.1295 | 0.7223 | 0.2214 | 0.052* | |
C3 | 0.3409 (6) | 0.7090 (5) | 0.1846 (3) | 0.0527 (15) | |
H3 | 0.3488 | 0.7768 | 0.1961 | 0.063* | |
C4 | 0.4587 (6) | 0.6440 (5) | 0.1530 (3) | 0.0521 (15) | |
H4 | 0.5465 | 0.6670 | 0.1428 | 0.063* | |
C5 | 0.4474 (5) | 0.5437 (4) | 0.1360 (3) | 0.0437 (13) | |
H5 | 0.5281 | 0.4987 | 0.1146 | 0.052* | |
C6 | 0.3163 (5) | 0.5095 (4) | 0.1506 (2) | 0.0350 (11) | |
H6 | 0.3090 | 0.4422 | 0.1381 | 0.042* | |
C7 | −0.0853 (5) | 0.6091 (4) | 0.1353 (2) | 0.0333 (11) | |
C8 | −0.1194 (6) | 0.7228 (4) | 0.1332 (3) | 0.0490 (14) | |
H8 | −0.0901 | 0.7563 | 0.1666 | 0.059* | |
C9 | −0.1957 (6) | 0.7876 (5) | 0.0827 (3) | 0.0593 (17) | |
H9 | −0.2191 | 0.8635 | 0.0830 | 0.071* | |
C10 | −0.2367 (6) | 0.7398 (5) | 0.0325 (3) | 0.0553 (16) | |
H10 | −0.2860 | 0.7830 | −0.0022 | 0.066* | |
C11 | −0.2045 (6) | 0.6277 (5) | 0.0338 (3) | 0.0529 (15) | |
H11 | −0.2334 | 0.5949 | 0.0000 | 0.063* | |
C12 | −0.1292 (5) | 0.5625 (4) | 0.0850 (3) | 0.0419 (13) | |
H12 | −0.1083 | 0.4865 | 0.0851 | 0.050* | |
C13 | −0.0665 (5) | 0.5927 (3) | 0.2774 (2) | 0.0301 (11) | |
C14 | −0.2183 (6) | 0.6260 (4) | 0.2859 (3) | 0.0402 (12) | |
H14 | −0.2742 | 0.6222 | 0.2513 | 0.048* | |
C15 | −0.2878 (7) | 0.6653 (4) | 0.3461 (3) | 0.0549 (16) | |
H15 | −0.3897 | 0.6872 | 0.3516 | 0.066* | |
C16 | −0.2055 (8) | 0.6718 (4) | 0.3973 (3) | 0.0587 (17) | |
H16 | −0.2521 | 0.6989 | 0.4372 | 0.070* | |
C17 | −0.0557 (7) | 0.6386 (4) | 0.3899 (3) | 0.0545 (16) | |
H17 | −0.0007 | 0.6428 | 0.4247 | 0.065* | |
C18 | 0.0143 (6) | 0.5988 (4) | 0.3303 (2) | 0.0397 (12) | |
H18 | 0.1162 | 0.5759 | 0.3257 | 0.048* | |
P2 | 0.11455 (13) | 0.27236 (9) | 0.31971 (6) | 0.0295 (3) | |
C19 | 0.2290 (5) | 0.3533 (4) | 0.3514 (2) | 0.0322 (11) | |
C20 | 0.2065 (6) | 0.3843 (4) | 0.4163 (3) | 0.0443 (13) | |
H20 | 0.1359 | 0.3596 | 0.4466 | 0.053* | |
C21 | 0.2879 (6) | 0.4519 (5) | 0.4368 (3) | 0.0515 (15) | |
H21 | 0.2708 | 0.4723 | 0.4805 | 0.062* | |
C22 | 0.3925 (6) | 0.4884 (5) | 0.3935 (3) | 0.0522 (15) | |
H22 | 0.4449 | 0.5349 | 0.4073 | 0.063* | |
C23 | 0.4208 (6) | 0.4562 (4) | 0.3288 (3) | 0.0469 (14) | |
H23 | 0.4951 | 0.4784 | 0.2997 | 0.056* | |
C24 | 0.3375 (5) | 0.3907 (4) | 0.3077 (3) | 0.0375 (12) | |
H24 | 0.3541 | 0.3713 | 0.2637 | 0.045* | |
C25 | 0.2412 (5) | 0.1355 (4) | 0.3161 (2) | 0.0336 (11) | |
C26 | 0.3883 (5) | 0.1266 (4) | 0.2932 (3) | 0.0414 (12) | |
H26 | 0.4266 | 0.1893 | 0.2854 | 0.050* | |
C27 | 0.4791 (6) | 0.0251 (5) | 0.2817 (3) | 0.0516 (14) | |
H27 | 0.5771 | 0.0201 | 0.2657 | 0.062* | |
C28 | 0.4228 (6) | −0.0688 (5) | 0.2943 (3) | 0.0555 (15) | |
H28 | 0.4828 | −0.1370 | 0.2866 | 0.067* | |
C29 | 0.2786 (7) | −0.0605 (4) | 0.3181 (3) | 0.0524 (15) | |
H29 | 0.2410 | −0.1235 | 0.3269 | 0.063* | |
C30 | 0.1883 (6) | 0.0404 (4) | 0.3291 (3) | 0.0407 (12) | |
H30 | 0.0906 | 0.0446 | 0.3454 | 0.049* | |
C31 | −0.0131 (5) | 0.2546 (4) | 0.3951 (2) | 0.0350 (11) | |
C32 | 0.0250 (6) | 0.1771 (4) | 0.4493 (2) | 0.0427 (13) | |
H32 | 0.1181 | 0.1310 | 0.4484 | 0.051* | |
C33 | −0.0759 (7) | 0.1688 (5) | 0.5047 (3) | 0.0536 (15) | |
H33 | −0.0507 | 0.1169 | 0.5407 | 0.064* | |
C34 | −0.2121 (7) | 0.2367 (5) | 0.5061 (3) | 0.0583 (16) | |
H34 | −0.2801 | 0.2303 | 0.5430 | 0.070* | |
C35 | −0.2494 (6) | 0.3143 (5) | 0.4536 (3) | 0.0516 (14) | |
H35 | −0.3420 | 0.3611 | 0.4555 | 0.062* | |
C36 | −0.1508 (6) | 0.3237 (4) | 0.3977 (3) | 0.0419 (12) | |
H36 | −0.1771 | 0.3763 | 0.3622 | 0.050* | |
P3 | −0.02009 (12) | 0.18302 (9) | 0.17498 (6) | 0.0257 (3) | |
C37 | −0.1670 (5) | 0.2217 (3) | 0.1178 (2) | 0.0283 (10) | |
C38 | −0.3074 (5) | 0.2061 (4) | 0.1358 (3) | 0.0384 (12) | |
H38 | −0.3285 | 0.1695 | 0.1774 | 0.046* | |
C39 | −0.4172 (6) | 0.2438 (4) | 0.0931 (3) | 0.0470 (14) | |
H39 | −0.5112 | 0.2323 | 0.1059 | 0.056* | |
C40 | −0.3870 (6) | 0.2985 (4) | 0.0315 (3) | 0.0479 (14) | |
H40 | −0.4611 | 0.3251 | 0.0030 | 0.057* | |
C41 | −0.2487 (6) | 0.3136 (4) | 0.0124 (3) | 0.0425 (13) | |
H41 | −0.2283 | 0.3496 | −0.0295 | 0.051* | |
C42 | −0.1386 (5) | 0.2759 (4) | 0.0548 (2) | 0.0350 (11) | |
H42 | −0.0445 | 0.2866 | 0.0413 | 0.042* | |
C43 | 0.1253 (5) | 0.0912 (3) | 0.1268 (2) | 0.0286 (10) | |
C44 | 0.0939 (6) | 0.0276 (4) | 0.0808 (3) | 0.0435 (13) | |
H44 | −0.0030 | 0.0330 | 0.0725 | 0.052* | |
C45 | 0.2066 (6) | −0.0439 (4) | 0.0473 (3) | 0.0517 (15) | |
H45 | 0.1847 | −0.0861 | 0.0164 | 0.062* | |
C46 | 0.3508 (6) | −0.0528 (4) | 0.0592 (3) | 0.0530 (15) | |
H46 | 0.4262 | −0.1005 | 0.0364 | 0.064* | |
C47 | 0.3815 (6) | 0.0095 (4) | 0.1051 (3) | 0.0491 (14) | |
H47 | 0.4783 | 0.0034 | 0.1139 | 0.059* | |
C48 | 0.2695 (5) | 0.0811 (4) | 0.1385 (2) | 0.0377 (12) | |
H48 | 0.2920 | 0.1231 | 0.1692 | 0.045* | |
C49 | −0.0910 (5) | 0.0887 (4) | 0.2405 (2) | 0.0294 (11) | |
C50 | −0.0549 (6) | −0.0247 (4) | 0.2402 (3) | 0.0411 (12) | |
H50 | 0.0009 | −0.0564 | 0.2034 | 0.049* | |
C51 | −0.1014 (6) | −0.0911 (4) | 0.2945 (3) | 0.0465 (14) | |
H51 | −0.0769 | −0.1670 | 0.2937 | 0.056* | |
C52 | −0.1835 (6) | −0.0454 (4) | 0.3492 (3) | 0.0468 (13) | |
H52 | −0.2115 | −0.0902 | 0.3861 | 0.056* | |
C53 | −0.2244 (6) | 0.0672 (4) | 0.3493 (3) | 0.0443 (13) | |
H53 | −0.2835 | 0.0983 | 0.3856 | 0.053* | |
C54 | −0.1777 (5) | 0.1334 (4) | 0.2958 (2) | 0.0325 (11) | |
H54 | −0.2045 | 0.2092 | 0.2966 | 0.039* | |
Cl2 | −0.4465 (3) | 0.8810 (2) | 0.51302 (16) | 0.1350 (10) | |
C55 | −0.5518 (16) | 0.9783 (16) | 0.4738 (6) | 0.091 (6) | 0.50 |
H55A | −0.6513 | 0.9679 | 0.4847 | 0.109* | 0.50 |
H55B | −0.5276 | 0.9706 | 0.4261 | 0.109* | 0.50 |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
Rh | 0.0314 (2) | 0.0212 (2) | 0.0215 (2) | −0.00593 (14) | −0.00265 (14) | −0.00038 (14) |
Cl1 | 0.0324 (6) | 0.0329 (6) | 0.0402 (7) | −0.0040 (5) | −0.0023 (5) | −0.0031 (5) |
P1 | 0.0340 (6) | 0.0211 (6) | 0.0221 (6) | −0.0057 (5) | −0.0020 (5) | 0.0007 (5) |
C1 | 0.038 (3) | 0.029 (3) | 0.023 (3) | −0.011 (2) | −0.004 (2) | 0.005 (2) |
C2 | 0.050 (3) | 0.036 (3) | 0.042 (3) | −0.011 (2) | 0.006 (2) | −0.007 (2) |
C3 | 0.063 (4) | 0.049 (3) | 0.056 (4) | −0.033 (3) | −0.001 (3) | −0.008 (3) |
C4 | 0.043 (3) | 0.069 (4) | 0.048 (4) | −0.029 (3) | −0.004 (3) | 0.011 (3) |
C5 | 0.034 (3) | 0.051 (3) | 0.042 (3) | −0.008 (2) | 0.002 (2) | 0.006 (3) |
C6 | 0.042 (3) | 0.034 (3) | 0.027 (3) | −0.005 (2) | −0.006 (2) | 0.001 (2) |
C7 | 0.033 (3) | 0.037 (3) | 0.028 (3) | −0.007 (2) | −0.004 (2) | 0.006 (2) |
C8 | 0.063 (4) | 0.033 (3) | 0.050 (3) | −0.007 (3) | −0.017 (3) | 0.006 (3) |
C9 | 0.059 (4) | 0.040 (3) | 0.069 (4) | −0.003 (3) | −0.011 (3) | 0.019 (3) |
C10 | 0.043 (3) | 0.070 (4) | 0.044 (4) | −0.008 (3) | −0.009 (3) | 0.028 (3) |
C11 | 0.049 (3) | 0.069 (4) | 0.038 (3) | −0.008 (3) | −0.017 (3) | 0.007 (3) |
C12 | 0.042 (3) | 0.039 (3) | 0.041 (3) | −0.001 (2) | −0.007 (2) | 0.000 (3) |
C13 | 0.039 (3) | 0.021 (2) | 0.028 (3) | −0.005 (2) | 0.002 (2) | −0.001 (2) |
C14 | 0.052 (3) | 0.026 (3) | 0.040 (3) | −0.007 (2) | −0.001 (3) | 0.003 (2) |
C15 | 0.063 (4) | 0.035 (3) | 0.053 (4) | −0.002 (3) | 0.026 (3) | 0.002 (3) |
C16 | 0.096 (5) | 0.031 (3) | 0.035 (3) | 0.000 (3) | 0.020 (3) | 0.000 (3) |
C17 | 0.095 (5) | 0.037 (3) | 0.026 (3) | −0.006 (3) | −0.002 (3) | 0.000 (2) |
C18 | 0.058 (3) | 0.025 (3) | 0.031 (3) | 0.000 (2) | −0.002 (2) | −0.002 (2) |
P2 | 0.0371 (7) | 0.0270 (6) | 0.0238 (7) | −0.0071 (5) | −0.0048 (5) | 0.0014 (5) |
C19 | 0.041 (3) | 0.026 (2) | 0.030 (3) | −0.007 (2) | −0.012 (2) | 0.004 (2) |
C20 | 0.064 (3) | 0.045 (3) | 0.028 (3) | −0.022 (3) | −0.004 (3) | 0.002 (2) |
C21 | 0.078 (4) | 0.054 (4) | 0.032 (3) | −0.030 (3) | −0.013 (3) | −0.003 (3) |
C22 | 0.061 (4) | 0.050 (3) | 0.053 (4) | −0.023 (3) | −0.023 (3) | 0.003 (3) |
C23 | 0.040 (3) | 0.043 (3) | 0.058 (4) | −0.014 (2) | −0.004 (3) | 0.001 (3) |
C24 | 0.043 (3) | 0.030 (3) | 0.039 (3) | −0.005 (2) | −0.004 (2) | −0.003 (2) |
C25 | 0.043 (3) | 0.033 (3) | 0.025 (3) | −0.007 (2) | −0.013 (2) | −0.001 (2) |
C26 | 0.041 (3) | 0.038 (3) | 0.045 (3) | −0.004 (2) | −0.013 (2) | −0.003 (2) |
C27 | 0.046 (3) | 0.052 (4) | 0.053 (4) | 0.002 (3) | −0.016 (3) | −0.007 (3) |
C28 | 0.061 (4) | 0.038 (3) | 0.062 (4) | 0.011 (3) | −0.024 (3) | −0.007 (3) |
C29 | 0.069 (4) | 0.030 (3) | 0.060 (4) | −0.007 (3) | −0.022 (3) | 0.001 (3) |
C30 | 0.052 (3) | 0.037 (3) | 0.033 (3) | −0.010 (2) | −0.012 (2) | 0.006 (2) |
C31 | 0.049 (3) | 0.038 (3) | 0.022 (3) | −0.018 (2) | −0.005 (2) | 0.002 (2) |
C32 | 0.055 (3) | 0.046 (3) | 0.027 (3) | −0.013 (3) | −0.007 (2) | 0.004 (2) |
C33 | 0.076 (4) | 0.059 (4) | 0.028 (3) | −0.026 (3) | −0.004 (3) | 0.008 (3) |
C34 | 0.064 (4) | 0.078 (4) | 0.033 (3) | −0.024 (3) | 0.008 (3) | −0.004 (3) |
C35 | 0.047 (3) | 0.064 (4) | 0.040 (3) | −0.001 (3) | 0.001 (3) | −0.014 (3) |
C36 | 0.051 (3) | 0.042 (3) | 0.029 (3) | −0.004 (2) | −0.005 (2) | −0.001 (2) |
P3 | 0.0327 (6) | 0.0231 (6) | 0.0217 (6) | −0.0071 (5) | −0.0038 (5) | −0.0008 (5) |
C37 | 0.033 (3) | 0.024 (2) | 0.029 (3) | −0.0056 (19) | −0.009 (2) | −0.003 (2) |
C38 | 0.040 (3) | 0.046 (3) | 0.031 (3) | −0.013 (2) | −0.001 (2) | −0.003 (2) |
C39 | 0.038 (3) | 0.049 (3) | 0.057 (4) | −0.010 (2) | −0.014 (3) | −0.008 (3) |
C40 | 0.047 (3) | 0.051 (3) | 0.047 (4) | −0.003 (3) | −0.022 (3) | −0.007 (3) |
C41 | 0.055 (3) | 0.042 (3) | 0.029 (3) | −0.003 (2) | −0.013 (3) | −0.003 (2) |
C42 | 0.037 (3) | 0.039 (3) | 0.030 (3) | −0.011 (2) | −0.001 (2) | −0.001 (2) |
C43 | 0.039 (3) | 0.023 (2) | 0.023 (2) | −0.006 (2) | −0.003 (2) | 0.000 (2) |
C44 | 0.048 (3) | 0.037 (3) | 0.047 (3) | −0.007 (2) | −0.010 (3) | −0.014 (3) |
C45 | 0.067 (4) | 0.042 (3) | 0.045 (3) | 0.001 (3) | −0.010 (3) | −0.020 (3) |
C46 | 0.063 (4) | 0.043 (3) | 0.043 (3) | 0.006 (3) | 0.009 (3) | −0.013 (3) |
C47 | 0.039 (3) | 0.049 (3) | 0.056 (4) | 0.001 (3) | −0.002 (3) | −0.012 (3) |
C48 | 0.046 (3) | 0.036 (3) | 0.033 (3) | −0.010 (2) | −0.003 (2) | −0.009 (2) |
C49 | 0.035 (3) | 0.027 (3) | 0.029 (3) | −0.010 (2) | −0.009 (2) | 0.001 (2) |
C50 | 0.055 (3) | 0.031 (3) | 0.036 (3) | −0.012 (2) | 0.005 (2) | −0.003 (2) |
C51 | 0.062 (3) | 0.026 (3) | 0.052 (4) | −0.013 (2) | −0.003 (3) | 0.003 (3) |
C52 | 0.065 (4) | 0.038 (3) | 0.038 (3) | −0.020 (3) | −0.003 (3) | 0.008 (3) |
C53 | 0.055 (3) | 0.046 (3) | 0.034 (3) | −0.018 (3) | 0.005 (2) | −0.003 (3) |
C54 | 0.042 (3) | 0.027 (3) | 0.032 (3) | −0.012 (2) | −0.007 (2) | −0.004 (2) |
Cl2 | 0.1111 (19) | 0.143 (2) | 0.133 (2) | −0.0030 (17) | 0.0253 (17) | −0.024 (2) |
C55 | 0.073 (9) | 0.193 (19) | 0.026 (7) | −0.064 (11) | −0.011 (6) | −0.019 (9) |
Geometric parameters (Å, º) top
Rh—Cl1 | 2.4714 (18) | C27—C28 | 1.388 (8) |
Rh—P1 | 2.3256 (16) | C28—H28 | 0.930 |
Rh—P2 | 2.4411 (18) | C28—C29 | 1.368 (8) |
Rh—P3 | 2.3186 (16) | C29—H29 | 0.930 |
P1—C1 | 1.841 (4) | C29—C30 | 1.380 (7) |
P1—C7 | 1.854 (5) | C30—H30 | 0.930 |
P1—C13 | 1.834 (5) | C31—C32 | 1.395 (7) |
C1—C2 | 1.387 (7) | C31—C36 | 1.381 (7) |
C1—C6 | 1.392 (7) | C32—H32 | 0.930 |
C2—H2 | 0.930 | C32—C33 | 1.386 (7) |
C2—C3 | 1.382 (7) | C33—H33 | 0.930 |
C3—H3 | 0.930 | C33—C34 | 1.364 (8) |
C3—C4 | 1.356 (8) | C34—H34 | 0.930 |
C4—H4 | 0.930 | C34—C35 | 1.370 (8) |
C4—C5 | 1.374 (8) | C35—H35 | 0.930 |
C5—H5 | 0.930 | C35—C36 | 1.383 (7) |
C5—C6 | 1.385 (7) | C36—H36 | 0.930 |
C6—H6 | 0.930 | P3—C37 | 1.839 (4) |
C7—C8 | 1.389 (7) | P3—C43 | 1.833 (5) |
C7—C12 | 1.373 (7) | P3—C49 | 1.840 (5) |
C8—H8 | 0.930 | C37—C38 | 1.379 (6) |
C8—C9 | 1.381 (8) | C37—C42 | 1.395 (7) |
C9—H9 | 0.930 | C38—H38 | 0.930 |
C9—C10 | 1.366 (9) | C38—C39 | 1.380 (7) |
C10—H10 | 0.930 | C39—H39 | 0.930 |
C10—C11 | 1.370 (8) | C39—C40 | 1.377 (8) |
C11—H11 | 0.930 | C40—H40 | 0.930 |
C11—C12 | 1.391 (7) | C40—C41 | 1.362 (7) |
C12—H12 | 0.930 | C41—H41 | 0.930 |
C13—C14 | 1.386 (7) | C41—C42 | 1.379 (7) |
C13—C18 | 1.396 (7) | C42—H42 | 0.930 |
C14—H14 | 0.930 | C43—C44 | 1.388 (7) |
C14—C15 | 1.393 (8) | C43—C48 | 1.375 (6) |
C15—H15 | 0.930 | C44—H44 | 0.930 |
C15—C16 | 1.376 (9) | C44—C45 | 1.386 (7) |
C16—H16 | 0.930 | C45—H45 | 0.930 |
C16—C17 | 1.368 (9) | C45—C46 | 1.379 (8) |
C17—H17 | 0.930 | C46—H46 | 0.930 |
C17—C18 | 1.386 (7) | C46—C47 | 1.373 (8) |
C18—H18 | 0.930 | C47—H47 | 0.930 |
P2—C19 | 1.847 (5) | C47—C48 | 1.381 (7) |
P2—C25 | 1.857 (5) | C48—H48 | 0.930 |
P2—C31 | 1.847 (5) | C49—C50 | 1.389 (7) |
C19—C20 | 1.384 (7) | C49—C54 | 1.393 (7) |
C19—C24 | 1.396 (7) | C50—H50 | 0.930 |
C20—H20 | 0.930 | C50—C51 | 1.387 (7) |
C20—C21 | 1.389 (7) | C51—H51 | 0.930 |
C21—H21 | 0.930 | C51—C52 | 1.372 (8) |
C21—C22 | 1.361 (8) | C52—H52 | 0.930 |
C22—H22 | 0.930 | C52—C53 | 1.380 (7) |
C22—C23 | 1.385 (8) | C53—H53 | 0.930 |
C23—H23 | 0.930 | C53—C54 | 1.377 (7) |
C23—C24 | 1.388 (7) | C54—H54 | 0.930 |
C24—H24 | 0.930 | Cl2—C55 | 1.578 (18) |
C25—C26 | 1.389 (7) | Cl2—C55i | 1.816 (18) |
C25—C30 | 1.385 (7) | C55—Cl2i | 1.816 (18) |
C26—H26 | 0.930 | C55—H55A | 0.970 |
C26—C27 | 1.389 (7) | C55—H55B | 0.970 |
C27—H27 | 0.930 | ||
Cl1—Rh—P1 | 83.10 (6) | C26—C27—C28 | 119.7 (5) |
Cl1—Rh—P2 | 105.29 (6) | H27—C27—C28 | 120.1 |
Cl1—Rh—P3 | 85.11 (6) | C27—C28—H28 | 120.2 |
P1—Rh—P2 | 103.12 (6) | C27—C28—C29 | 119.6 (5) |
P1—Rh—P3 | 154.79 (5) | H28—C28—C29 | 120.2 |
P2—Rh—P3 | 101.46 (6) | C28—C29—H29 | 119.7 |
Rh—P1—C1 | 119.74 (16) | C28—C29—C30 | 120.6 (5) |
Rh—P1—C7 | 114.11 (16) | H29—C29—C30 | 119.7 |
Rh—P1—C13 | 114.25 (15) | C25—C30—C29 | 120.9 (5) |
C1—P1—C7 | 100.3 (2) | C25—C30—H30 | 119.5 |
C1—P1—C13 | 104.3 (2) | C29—C30—H30 | 119.5 |
C7—P1—C13 | 101.7 (2) | P2—C31—C32 | 123.0 (4) |
P1—C1—C2 | 122.9 (4) | P2—C31—C36 | 117.6 (4) |
P1—C1—C6 | 119.0 (4) | C32—C31—C36 | 119.3 (5) |
C2—C1—C6 | 118.1 (4) | C31—C32—H32 | 120.0 |
C1—C2—H2 | 119.8 | C31—C32—C33 | 120.0 (5) |
C1—C2—C3 | 120.4 (5) | H32—C32—C33 | 120.0 |
H2—C2—C3 | 119.8 | C32—C33—H33 | 120.0 |
C2—C3—H3 | 119.5 | C32—C33—C34 | 119.9 (5) |
C2—C3—C4 | 121.1 (5) | H33—C33—C34 | 120.0 |
H3—C3—C4 | 119.5 | C33—C34—H34 | 119.8 |
C3—C4—H4 | 120.2 | C33—C34—C35 | 120.4 (5) |
C3—C4—C5 | 119.6 (5) | H34—C34—C35 | 119.8 |
H4—C4—C5 | 120.2 | C34—C35—H35 | 119.7 |
C4—C5—H5 | 119.9 | C34—C35—C36 | 120.6 (5) |
C4—C5—C6 | 120.3 (5) | H35—C35—C36 | 119.7 |
H5—C5—C6 | 119.9 | C31—C36—C35 | 119.7 (5) |
C1—C6—C5 | 120.5 (5) | C31—C36—H36 | 120.2 |
C1—C6—H6 | 119.8 | C35—C36—H36 | 120.2 |
C5—C6—H6 | 119.8 | Rh—P3—C37 | 109.83 (15) |
P1—C7—C8 | 120.0 (4) | Rh—P3—C43 | 118.80 (15) |
P1—C7—C12 | 122.4 (4) | Rh—P3—C49 | 117.37 (15) |
C8—C7—C12 | 117.6 (5) | C37—P3—C43 | 102.7 (2) |
C7—C8—H8 | 119.1 | C37—P3—C49 | 102.9 (2) |
C7—C8—C9 | 121.7 (6) | C43—P3—C49 | 103.2 (2) |
H8—C8—C9 | 119.1 | P3—C37—C38 | 123.2 (4) |
C8—C9—H9 | 120.1 | P3—C37—C42 | 118.7 (3) |
C8—C9—C10 | 119.9 (5) | C38—C37—C42 | 118.0 (4) |
H9—C9—C10 | 120.1 | C37—C38—H38 | 119.4 |
C9—C10—H10 | 120.4 | C37—C38—C39 | 121.2 (5) |
C9—C10—C11 | 119.3 (5) | H38—C38—C39 | 119.4 |
H10—C10—C11 | 120.4 | C38—C39—H39 | 120.1 |
C10—C11—H11 | 119.6 | C38—C39—C40 | 119.7 (5) |
C10—C11—C12 | 120.9 (6) | H39—C39—C40 | 120.1 |
H11—C11—C12 | 119.6 | C39—C40—H40 | 120.0 |
C7—C12—C11 | 120.6 (5) | C39—C40—C41 | 120.1 (5) |
C7—C12—H12 | 119.7 | H40—C40—C41 | 120.0 |
C11—C12—H12 | 119.7 | C40—C41—H41 | 119.8 |
P1—C13—C14 | 120.4 (4) | C40—C41—C42 | 120.3 (5) |
P1—C13—C18 | 120.7 (4) | H41—C41—C42 | 119.8 |
C14—C13—C18 | 118.5 (4) | C37—C42—C41 | 120.7 (4) |
C13—C14—H14 | 119.8 | C37—C42—H42 | 119.7 |
C13—C14—C15 | 120.4 (5) | C41—C42—H42 | 119.7 |
H14—C14—C15 | 119.8 | P3—C43—C44 | 121.9 (4) |
C14—C15—H15 | 120.0 | P3—C43—C48 | 119.4 (3) |
C14—C15—C16 | 120.0 (6) | C44—C43—C48 | 118.6 (4) |
H15—C15—C16 | 120.0 | C43—C44—H44 | 119.9 |
C15—C16—H16 | 119.8 | C43—C44—C45 | 120.2 (5) |
C15—C16—C17 | 120.3 (5) | H44—C44—C45 | 119.9 |
H16—C16—C17 | 119.8 | C44—C45—H45 | 119.7 |
C16—C17—H17 | 120.0 | C44—C45—C46 | 120.5 (5) |
C16—C17—C18 | 120.1 (6) | H45—C45—C46 | 119.7 |
H17—C17—C18 | 120.0 | C45—C46—H46 | 120.4 |
C13—C18—C17 | 120.6 (5) | C45—C46—C47 | 119.2 (5) |
C13—C18—H18 | 119.7 | H46—C46—C47 | 120.4 |
C17—C18—H18 | 119.7 | C46—C47—H47 | 119.8 |
Rh—P2—C19 | 115.20 (15) | C46—C47—C48 | 120.4 (5) |
Rh—P2—C25 | 109.88 (16) | H47—C47—C48 | 119.8 |
Rh—P2—C31 | 122.70 (16) | C43—C48—C47 | 121.1 (5) |
C19—P2—C25 | 102.3 (2) | C43—C48—H48 | 119.5 |
C19—P2—C31 | 100.6 (2) | C47—C48—H48 | 119.5 |
C25—P2—C31 | 103.8 (2) | P3—C49—C50 | 123.8 (4) |
P2—C19—C20 | 122.6 (4) | P3—C49—C54 | 117.9 (3) |
P2—C19—C24 | 119.4 (4) | C50—C49—C54 | 118.2 (4) |
C20—C19—C24 | 117.9 (4) | C49—C50—H50 | 119.7 |
C19—C20—H20 | 119.5 | C49—C50—C51 | 120.6 (5) |
C19—C20—C21 | 120.9 (5) | H50—C50—C51 | 119.7 |
H20—C20—C21 | 119.5 | C50—C51—H51 | 119.9 |
C20—C21—H21 | 119.7 | C50—C51—C52 | 120.3 (5) |
C20—C21—C22 | 120.6 (5) | H51—C51—C52 | 119.9 |
H21—C21—C22 | 119.7 | C51—C52—H52 | 120.0 |
C21—C22—H22 | 120.0 | C51—C52—C53 | 120.0 (5) |
C21—C22—C23 | 120.0 (5) | H52—C52—C53 | 120.0 |
H22—C22—C23 | 120.0 | C52—C53—H53 | 120.0 |
C22—C23—H23 | 120.2 | C52—C53—C54 | 119.9 (5) |
C22—C23—C24 | 119.6 (5) | H53—C53—C54 | 120.0 |
H23—C23—C24 | 120.2 | C49—C54—C53 | 121.1 (4) |
C19—C24—C23 | 121.1 (5) | C49—C54—H54 | 119.5 |
C19—C24—H24 | 119.5 | C53—C54—H54 | 119.5 |
C23—C24—H24 | 119.5 | C55—Cl2—C55i | 60.5 (7) |
P2—C25—C26 | 120.5 (4) | Cl2—C55—Cl2i | 119.5 (7) |
P2—C25—C30 | 120.8 (4) | Cl2—C55—H55A | 107.4 |
C26—C25—C30 | 118.3 (5) | Cl2i—C55—H55A | 107.4 |
C25—C26—H26 | 119.6 | Cl2—C55—H55B | 107.4 |
C25—C26—C27 | 120.7 (5) | Cl2i—C55—H55B | 107.4 |
H26—C26—C27 | 119.6 | H55A—C55—H55B | 107.0 |
C26—C27—H27 | 120.1 |
Symmetry code: (i) −x−1, −y+2, −z+1. |
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