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metal-organic compounds
The title complex, [RhHCl2(PMePh2)3]·3CH2Cl2, has octahedral coordination for Rh, with the three phosphine ligands arranged mer and the two chloro ligands mutually cis. Coordination bond lengths are in accord with the relative trans influence of the ligands.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536802012242/bt6162sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536802012242/bt6162Isup2.hkl |
CCDC reference: 193704
Key indicators
- Single-crystal X-ray study
- T = 160 K
- Mean (C-C) = 0.006 Å
- R factor = 0.044
- wR factor = 0.118
- Data-to-parameter ratio = 21.0
checkCIF results
No syntax errors found ADDSYM reports no extra symmetry
Alert Level B:
REFLT_03 From the CIF: _diffrn_reflns_theta_max 28.40 From the CIF: _reflns_number_total 10376 TEST2: Reflns within _diffrn_reflns_theta_max Count of symmetry unique reflns 11575 Completeness (_total/calc) 89.64% Alert B: < 90% complete (theta max?)
Author response: The data set is 99.4% complete to theta of 26\%, as stated in the appropriate CIF item. This incompleteness of the highest shell of data is normal for area detectors. The alert is unnecessary and misleading. |
Alert Level C:
ABSTM_02 Alert C The ratio of expected to reported Tmax/Tmin(RR') is < 0.90 Tmin and Tmax reported: 0.642 0.876 Tmin' and Tmax expected: 0.611 0.748 RR' = 0.898 Please check that your absorption correction is appropriate. General Notes
ABSTM_02 When printed, the submitted absorption T values will be replaced by the scaled T values. Since the ratio of scaled T's is identical to the ratio of reported T values, the scaling does not imply a change to the absorption corrections used in the study. Ratio of Tmax expected/reported 0.854 Tmax scaled 0.748 Tmin scaled 0.548
0 Alert Level A = Potentially serious problem
1 Alert Level B = Potential problem
1 Alert Level C = Please check
Computing details top
Data collection: SMART (Siemens, 1994); cell refinement: local programs; data reduction: SAINT (Siemens, 1994); 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.
hydridodichlorotris(methyldiphenylphosphine)rhodium(III) dichloromethane
trisolvate top
Crystal data top
[RhHCl2(C13H13P)3]·3CH2Cl2 | F(000) = 2096 |
Mr = 1030.21 | Dx = 1.484 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
a = 12.5494 (8) Å | Cell parameters from 16248 reflections |
b = 18.3233 (12) Å | θ = 2.2–28.4° |
c = 20.0687 (13) Å | µ = 0.97 mm−1 |
β = 92.063 (2)° | T = 160 K |
V = 4611.7 (5) Å3 | Block, colourless |
Z = 4 | 0.50 × 0.32 × 0.30 mm |
Data collection top
Siemens SMART CCD diffractometer | 10376 independent reflections |
Radiation source: fine-focus sealed tube | 8288 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.041 |
Detector resolution: 8.192 pixels mm-1 | θmax = 28.4°, θmin = 1.5° |
ω rotation with narrow frames scans | h = −16→11 |
Absorption correction: multi-scan (XPREP in SHELXTL; Sheldrick, 1997) | k = −23→24 |
Tmin = 0.642, Tmax = 0.876 | l = −26→26 |
27485 measured reflections |
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)] = 0.044 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.118 | H-atom parameters constrained |
S = 1.11 | w = 1/[σ2(Fo2) + (0.0449P)2 + 10.9692P] where P = (Fo2 + 2Fc2)/3 |
10376 reflections | (Δ/σ)max = 0.001 |
493 parameters | Δρmax = 1.02 e Å−3 |
0 restraints | Δρmin = −1.51 e Å−3 |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | ||
Rh | 0.51389 (2) | 0.229024 (13) | 0.729752 (12) | 0.01714 (7) | |
H1 | 0.594 (3) | 0.242 (2) | 0.6746 (19) | 0.025* | |
Cl1 | 0.39325 (7) | 0.20623 (5) | 0.82468 (4) | 0.02745 (18) | |
Cl2 | 0.54299 (7) | 0.35538 (4) | 0.76159 (4) | 0.02479 (17) | |
P1 | 0.66312 (7) | 0.20692 (5) | 0.80172 (4) | 0.01958 (17) | |
C1 | 0.7910 (3) | 0.24474 (19) | 0.77800 (17) | 0.0233 (7) | |
C2 | 0.8799 (3) | 0.2394 (2) | 0.82212 (19) | 0.0321 (8) | |
H2 | 0.8737 | 0.2146 | 0.8634 | 0.038* | |
C3 | 0.9767 (3) | 0.2699 (3) | 0.8060 (2) | 0.0397 (10) | |
H3 | 1.0367 | 0.2657 | 0.8360 | 0.048* | |
C4 | 0.9855 (3) | 0.3066 (2) | 0.7463 (2) | 0.0397 (10) | |
H4 | 1.0519 | 0.3275 | 0.7354 | 0.048* | |
C5 | 0.8988 (3) | 0.3129 (2) | 0.7026 (2) | 0.0363 (9) | |
H5 | 0.9054 | 0.3382 | 0.6616 | 0.044* | |
C6 | 0.8017 (3) | 0.2823 (2) | 0.71856 (19) | 0.0286 (8) | |
H6 | 0.7420 | 0.2871 | 0.6884 | 0.034* | |
C7 | 0.6943 (3) | 0.11327 (19) | 0.82669 (17) | 0.0251 (7) | |
C8 | 0.7895 (3) | 0.0780 (2) | 0.81223 (18) | 0.0312 (8) | |
H8 | 0.8411 | 0.1027 | 0.7871 | 0.037* | |
C9 | 0.8097 (4) | 0.0074 (2) | 0.8341 (2) | 0.0423 (11) | |
H9 | 0.8743 | −0.0163 | 0.8238 | 0.051* | |
C10 | 0.7346 (4) | −0.0283 (2) | 0.8713 (2) | 0.0496 (13) | |
H10 | 0.7488 | −0.0763 | 0.8873 | 0.060* | |
C11 | 0.6402 (4) | 0.0047 (2) | 0.8852 (2) | 0.0447 (11) | |
H11 | 0.5888 | −0.0207 | 0.9099 | 0.054* | |
C12 | 0.6191 (3) | 0.0758 (2) | 0.86312 (19) | 0.0326 (8) | |
H12 | 0.5535 | 0.0986 | 0.8729 | 0.039* | |
C13 | 0.6449 (3) | 0.2497 (2) | 0.88283 (17) | 0.0273 (7) | |
H13A | 0.7072 | 0.2396 | 0.9122 | 0.041* | |
H13B | 0.5809 | 0.2298 | 0.9027 | 0.041* | |
H13C | 0.6369 | 0.3025 | 0.8770 | 0.041* | |
P2 | 0.50594 (7) | 0.11729 (5) | 0.68241 (4) | 0.01970 (17) | |
C14 | 0.6319 (3) | 0.06878 (19) | 0.67598 (16) | 0.0218 (7) | |
C15 | 0.7156 (3) | 0.1046 (2) | 0.64554 (19) | 0.0307 (8) | |
H15 | 0.7084 | 0.1546 | 0.6335 | 0.037* | |
C16 | 0.8089 (3) | 0.0676 (3) | 0.6328 (2) | 0.0412 (10) | |
H16 | 0.8653 | 0.0920 | 0.6117 | 0.049* | |
C17 | 0.8198 (4) | −0.0051 (2) | 0.6508 (2) | 0.0405 (10) | |
H17 | 0.8836 | −0.0305 | 0.6417 | 0.049* | |
C18 | 0.7389 (3) | −0.0402 (2) | 0.6816 (2) | 0.0355 (9) | |
H18 | 0.7474 | −0.0898 | 0.6945 | 0.043* | |
C19 | 0.6445 (3) | −0.00402 (19) | 0.69412 (17) | 0.0269 (7) | |
H19 | 0.5885 | −0.0290 | 0.7151 | 0.032* | |
C20 | 0.4678 (3) | 0.1160 (2) | 0.59302 (18) | 0.0262 (7) | |
C21 | 0.4086 (3) | 0.0594 (2) | 0.5645 (2) | 0.0349 (9) | |
H21 | 0.3824 | 0.0215 | 0.5918 | 0.042* | |
C22 | 0.3875 (4) | 0.0581 (2) | 0.4955 (2) | 0.0431 (11) | |
H22 | 0.3462 | 0.0196 | 0.4763 | 0.052* | |
C23 | 0.4260 (4) | 0.1123 (3) | 0.4554 (2) | 0.0439 (11) | |
H23 | 0.4111 | 0.1112 | 0.4086 | 0.053* | |
C24 | 0.4864 (3) | 0.1682 (3) | 0.48329 (19) | 0.0389 (10) | |
H24 | 0.5133 | 0.2056 | 0.4557 | 0.047* | |
C25 | 0.5079 (3) | 0.1699 (2) | 0.55168 (18) | 0.0288 (8) | |
H25 | 0.5504 | 0.2081 | 0.5705 | 0.035* | |
C26 | 0.4166 (3) | 0.0546 (2) | 0.72142 (19) | 0.0298 (8) | |
H26A | 0.4376 | 0.0493 | 0.7687 | 0.045* | |
H26B | 0.4201 | 0.0069 | 0.6994 | 0.045* | |
H26C | 0.3436 | 0.0734 | 0.7173 | 0.045* | |
P3 | 0.36572 (7) | 0.27458 (5) | 0.66785 (4) | 0.02050 (17) | |
C27 | 0.3948 (3) | 0.32810 (19) | 0.59398 (17) | 0.0245 (7) | |
C28 | 0.3132 (3) | 0.3495 (2) | 0.54909 (19) | 0.0304 (8) | |
H28 | 0.2416 | 0.3358 | 0.5567 | 0.037* | |
C29 | 0.3363 (3) | 0.3910 (2) | 0.49305 (19) | 0.0365 (9) | |
H29 | 0.2806 | 0.4042 | 0.4621 | 0.044* | |
C30 | 0.4390 (4) | 0.4128 (2) | 0.4823 (2) | 0.0391 (9) | |
H30 | 0.4545 | 0.4405 | 0.4438 | 0.047* | |
C31 | 0.5201 (3) | 0.3941 (2) | 0.5280 (2) | 0.0363 (9) | |
H31 | 0.5910 | 0.4101 | 0.5214 | 0.044* | |
C32 | 0.4976 (3) | 0.3520 (2) | 0.58337 (18) | 0.0289 (8) | |
H32 | 0.5535 | 0.3394 | 0.6144 | 0.035* | |
C33 | 0.2596 (3) | 0.21112 (19) | 0.64167 (19) | 0.0269 (7) | |
C34 | 0.2413 (3) | 0.1891 (2) | 0.5752 (2) | 0.0335 (8) | |
H34 | 0.2842 | 0.2081 | 0.5413 | 0.040* | |
C35 | 0.1602 (3) | 0.1395 (3) | 0.5589 (3) | 0.0450 (11) | |
H35 | 0.1474 | 0.1253 | 0.5138 | 0.054* | |
C36 | 0.0984 (3) | 0.1109 (3) | 0.6084 (3) | 0.0499 (12) | |
H36 | 0.0441 | 0.0764 | 0.5973 | 0.060* | |
C37 | 0.1157 (3) | 0.1325 (3) | 0.6738 (3) | 0.0486 (12) | |
H37 | 0.0724 | 0.1132 | 0.7074 | 0.058* | |
C38 | 0.1959 (3) | 0.1821 (2) | 0.6907 (2) | 0.0372 (9) | |
H38 | 0.2074 | 0.1964 | 0.7359 | 0.045* | |
C39 | 0.2896 (3) | 0.3399 (2) | 0.71577 (19) | 0.0280 (7) | |
H39A | 0.2683 | 0.3171 | 0.7574 | 0.042* | |
H39B | 0.2258 | 0.3548 | 0.6896 | 0.042* | |
H39C | 0.3338 | 0.3828 | 0.7260 | 0.042* | |
C40 | 0.8530 (3) | 0.1008 (3) | 0.3812 (2) | 0.0417 (10) | |
H40A | 0.8844 | 0.1429 | 0.3580 | 0.050* | |
H40B | 0.8518 | 0.0587 | 0.3503 | 0.050* | |
Cl3 | 0.93320 (11) | 0.07929 (7) | 0.45250 (6) | 0.0552 (3) | |
Cl4 | 0.72200 (10) | 0.12220 (7) | 0.40219 (8) | 0.0614 (4) | |
C41 | 0.9013 (4) | 0.2684 (3) | 0.5054 (3) | 0.0530 (13) | |
H41A | 0.9024 | 0.2558 | 0.4574 | 0.064* | |
H41B | 0.9295 | 0.2260 | 0.5311 | 0.064* | |
Cl5 | 0.98438 (12) | 0.34426 (8) | 0.52105 (7) | 0.0608 (4) | |
Cl6 | 0.76911 (12) | 0.28492 (8) | 0.52718 (7) | 0.0624 (4) | |
C42 | 0.2668 (6) | 0.0515 (4) | 0.9049 (4) | 0.103 (3) | |
H42A | 0.2963 | 0.1000 | 0.8939 | 0.123* | |
H42B | 0.2445 | 0.0531 | 0.9517 | 0.123* | |
Cl7 | 0.35908 (15) | −0.00962 (10) | 0.89810 (9) | 0.0852 (5) | |
Cl8 | 0.14466 (19) | 0.03221 (11) | 0.84745 (12) | 0.1052 (7) |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
Rh | 0.01747 (13) | 0.01812 (12) | 0.01592 (12) | −0.00080 (9) | 0.00175 (8) | −0.00049 (9) |
Cl1 | 0.0271 (4) | 0.0314 (4) | 0.0244 (4) | −0.0033 (3) | 0.0087 (3) | −0.0002 (3) |
Cl2 | 0.0264 (4) | 0.0198 (4) | 0.0281 (4) | −0.0025 (3) | 0.0001 (3) | −0.0033 (3) |
P1 | 0.0218 (4) | 0.0210 (4) | 0.0159 (4) | −0.0015 (3) | 0.0010 (3) | 0.0010 (3) |
C1 | 0.0198 (16) | 0.0246 (16) | 0.0256 (17) | −0.0017 (13) | 0.0035 (13) | −0.0033 (13) |
C2 | 0.0288 (19) | 0.042 (2) | 0.0249 (18) | −0.0034 (16) | −0.0014 (15) | −0.0018 (16) |
C3 | 0.0239 (19) | 0.056 (3) | 0.039 (2) | −0.0038 (18) | −0.0023 (16) | −0.010 (2) |
C4 | 0.0243 (19) | 0.048 (3) | 0.047 (2) | −0.0086 (18) | 0.0110 (17) | −0.005 (2) |
C5 | 0.032 (2) | 0.037 (2) | 0.040 (2) | −0.0028 (17) | 0.0088 (17) | 0.0088 (18) |
C6 | 0.0248 (18) | 0.0295 (19) | 0.0316 (19) | 0.0020 (14) | 0.0009 (15) | 0.0044 (15) |
C7 | 0.0331 (19) | 0.0234 (17) | 0.0183 (16) | −0.0012 (14) | −0.0044 (14) | 0.0008 (13) |
C8 | 0.041 (2) | 0.0294 (19) | 0.0222 (17) | 0.0041 (16) | −0.0098 (15) | −0.0046 (14) |
C9 | 0.056 (3) | 0.032 (2) | 0.037 (2) | 0.0133 (19) | −0.021 (2) | −0.0071 (17) |
C10 | 0.075 (3) | 0.025 (2) | 0.046 (3) | −0.002 (2) | −0.032 (2) | 0.0012 (18) |
C11 | 0.059 (3) | 0.034 (2) | 0.039 (2) | −0.019 (2) | −0.015 (2) | 0.0124 (18) |
C12 | 0.041 (2) | 0.0289 (19) | 0.0277 (19) | −0.0081 (16) | −0.0057 (16) | 0.0050 (15) |
C13 | 0.0285 (18) | 0.0319 (18) | 0.0216 (17) | −0.0050 (15) | 0.0024 (14) | −0.0014 (14) |
P2 | 0.0201 (4) | 0.0194 (4) | 0.0196 (4) | −0.0009 (3) | 0.0006 (3) | −0.0015 (3) |
C14 | 0.0232 (16) | 0.0246 (17) | 0.0174 (15) | 0.0043 (13) | −0.0011 (12) | −0.0022 (12) |
C15 | 0.0285 (19) | 0.033 (2) | 0.0308 (19) | 0.0071 (15) | 0.0022 (15) | 0.0057 (15) |
C16 | 0.029 (2) | 0.055 (3) | 0.040 (2) | 0.0093 (19) | 0.0106 (17) | 0.011 (2) |
C17 | 0.038 (2) | 0.048 (2) | 0.035 (2) | 0.0216 (19) | −0.0001 (18) | −0.0028 (18) |
C18 | 0.043 (2) | 0.030 (2) | 0.033 (2) | 0.0127 (17) | −0.0090 (17) | −0.0040 (16) |
C19 | 0.0331 (19) | 0.0252 (18) | 0.0221 (17) | 0.0029 (14) | −0.0052 (14) | −0.0022 (13) |
C20 | 0.0251 (17) | 0.0278 (18) | 0.0254 (17) | 0.0058 (14) | −0.0042 (14) | −0.0061 (14) |
C21 | 0.037 (2) | 0.031 (2) | 0.036 (2) | 0.0058 (16) | −0.0105 (17) | −0.0074 (16) |
C22 | 0.049 (3) | 0.039 (2) | 0.041 (2) | 0.0087 (19) | −0.015 (2) | −0.0203 (19) |
C23 | 0.052 (3) | 0.053 (3) | 0.025 (2) | 0.016 (2) | −0.0071 (18) | −0.0098 (19) |
C24 | 0.041 (2) | 0.052 (3) | 0.0235 (19) | 0.0094 (19) | 0.0009 (17) | −0.0020 (17) |
C25 | 0.0267 (18) | 0.038 (2) | 0.0219 (17) | 0.0040 (15) | −0.0019 (14) | −0.0033 (15) |
C26 | 0.0282 (19) | 0.0275 (18) | 0.034 (2) | −0.0069 (15) | 0.0093 (15) | −0.0027 (15) |
P3 | 0.0183 (4) | 0.0210 (4) | 0.0222 (4) | 0.0002 (3) | 0.0002 (3) | −0.0017 (3) |
C27 | 0.0272 (18) | 0.0236 (17) | 0.0227 (16) | 0.0041 (14) | −0.0001 (13) | −0.0002 (13) |
C28 | 0.0308 (19) | 0.0303 (19) | 0.0298 (19) | 0.0049 (15) | −0.0047 (15) | −0.0007 (15) |
C29 | 0.045 (2) | 0.037 (2) | 0.0269 (19) | 0.0047 (18) | −0.0111 (17) | 0.0048 (16) |
C30 | 0.053 (3) | 0.037 (2) | 0.0270 (19) | −0.0012 (19) | −0.0023 (18) | 0.0091 (16) |
C31 | 0.037 (2) | 0.039 (2) | 0.033 (2) | −0.0046 (17) | −0.0006 (17) | 0.0087 (17) |
C32 | 0.0287 (19) | 0.0301 (19) | 0.0274 (18) | −0.0009 (15) | −0.0043 (15) | 0.0072 (15) |
C33 | 0.0205 (17) | 0.0247 (18) | 0.035 (2) | 0.0009 (13) | −0.0018 (14) | −0.0052 (14) |
C34 | 0.0226 (18) | 0.039 (2) | 0.039 (2) | 0.0020 (16) | −0.0025 (15) | −0.0088 (17) |
C35 | 0.029 (2) | 0.049 (3) | 0.057 (3) | −0.0017 (19) | −0.0061 (19) | −0.020 (2) |
C36 | 0.026 (2) | 0.044 (3) | 0.079 (4) | −0.0070 (18) | −0.006 (2) | −0.017 (2) |
C37 | 0.029 (2) | 0.047 (3) | 0.071 (3) | −0.0107 (19) | 0.008 (2) | 0.005 (2) |
C38 | 0.030 (2) | 0.037 (2) | 0.044 (2) | −0.0057 (17) | 0.0019 (17) | −0.0005 (18) |
C39 | 0.0229 (17) | 0.0289 (18) | 0.0322 (19) | 0.0046 (14) | 0.0022 (14) | −0.0032 (15) |
C40 | 0.038 (2) | 0.052 (3) | 0.035 (2) | 0.004 (2) | 0.0042 (18) | 0.0019 (19) |
Cl3 | 0.0712 (8) | 0.0545 (7) | 0.0391 (6) | 0.0093 (6) | −0.0110 (6) | −0.0049 (5) |
Cl4 | 0.0416 (6) | 0.0535 (7) | 0.0905 (10) | 0.0003 (5) | 0.0199 (6) | 0.0045 (7) |
C41 | 0.074 (4) | 0.040 (3) | 0.046 (3) | 0.002 (2) | 0.020 (2) | −0.006 (2) |
Cl5 | 0.0686 (8) | 0.0597 (8) | 0.0559 (7) | −0.0097 (6) | 0.0281 (6) | −0.0187 (6) |
Cl6 | 0.0681 (8) | 0.0673 (8) | 0.0529 (7) | −0.0132 (7) | 0.0162 (6) | −0.0094 (6) |
C42 | 0.130 (6) | 0.081 (4) | 0.103 (5) | −0.076 (5) | 0.081 (5) | −0.050 (4) |
Cl7 | 0.0852 (11) | 0.0865 (12) | 0.0848 (11) | −0.0322 (10) | 0.0146 (9) | 0.0115 (9) |
Cl8 | 0.1156 (16) | 0.0764 (12) | 0.1259 (17) | 0.0174 (11) | 0.0369 (13) | 0.0120 (11) |
Geometric parameters (Å, º) top
Rh—H1 | 1.54 (4) | C21—C22 | 1.401 (6) |
Rh—Cl1 | 2.5107 (8) | C22—H22 | 0.950 |
Rh—Cl2 | 2.4260 (8) | C22—C23 | 1.377 (7) |
Rh—P1 | 2.3585 (9) | C23—H23 | 0.950 |
Rh—P2 | 2.2577 (9) | C23—C24 | 1.381 (6) |
Rh—P3 | 2.3518 (9) | C24—H24 | 0.950 |
P1—C1 | 1.827 (3) | C24—C25 | 1.390 (5) |
P1—C7 | 1.826 (4) | C25—H25 | 0.950 |
P1—C13 | 1.828 (4) | C26—H26A | 0.980 |
C1—C2 | 1.403 (5) | C26—H26B | 0.980 |
C1—C6 | 1.388 (5) | C26—H26C | 0.980 |
C2—H2 | 0.950 | P3—C27 | 1.825 (4) |
C2—C3 | 1.386 (6) | P3—C33 | 1.831 (4) |
C3—H3 | 0.950 | P3—C39 | 1.826 (4) |
C3—C4 | 1.381 (6) | C27—C28 | 1.395 (5) |
C4—H4 | 0.950 | C27—C32 | 1.386 (5) |
C4—C5 | 1.379 (6) | C28—H28 | 0.950 |
C5—H5 | 0.950 | C28—C29 | 1.396 (6) |
C5—C6 | 1.389 (5) | C29—H29 | 0.950 |
C6—H6 | 0.950 | C29—C30 | 1.374 (6) |
C7—C8 | 1.398 (5) | C30—H30 | 0.950 |
C7—C12 | 1.395 (5) | C30—C31 | 1.387 (6) |
C8—H8 | 0.950 | C31—H31 | 0.950 |
C8—C9 | 1.387 (6) | C31—C32 | 1.390 (5) |
C9—H9 | 0.950 | C32—H32 | 0.950 |
C9—C10 | 1.387 (7) | C33—C34 | 1.404 (5) |
C10—H10 | 0.950 | C33—C38 | 1.395 (6) |
C10—C11 | 1.368 (7) | C34—H34 | 0.950 |
C11—H11 | 0.950 | C34—C35 | 1.395 (6) |
C11—C12 | 1.398 (6) | C35—H35 | 0.950 |
C12—H12 | 0.950 | C35—C36 | 1.384 (7) |
C13—H13A | 0.980 | C36—H36 | 0.950 |
C13—H13B | 0.980 | C36—C37 | 1.380 (7) |
C13—H13C | 0.980 | C37—H37 | 0.950 |
P2—C14 | 1.822 (3) | C37—C38 | 1.390 (6) |
P2—C20 | 1.840 (4) | C38—H38 | 0.950 |
P2—C26 | 1.804 (4) | C39—H39A | 0.980 |
C14—C15 | 1.398 (5) | C39—H39B | 0.980 |
C14—C19 | 1.390 (5) | C39—H39C | 0.980 |
C15—H15 | 0.950 | C40—H40A | 0.990 |
C15—C16 | 1.385 (5) | C40—H40B | 0.990 |
C16—H16 | 0.950 | C40—Cl3 | 1.764 (4) |
C16—C17 | 1.385 (6) | C40—Cl4 | 1.756 (4) |
C17—H17 | 0.950 | C41—H41A | 0.990 |
C17—C18 | 1.369 (6) | C41—H41B | 0.990 |
C18—H18 | 0.950 | C41—Cl5 | 1.759 (5) |
C18—C19 | 1.388 (5) | C41—Cl6 | 1.757 (5) |
C19—H19 | 0.950 | C42—H42A | 0.990 |
C20—C21 | 1.387 (5) | C42—H42B | 0.990 |
C20—C25 | 1.395 (5) | C42—Cl7 | 1.621 (9) |
C21—H21 | 0.950 | C42—Cl8 | 1.918 (9) |
H1—Rh—Cl1 | 176.3 (14) | C21—C20—C25 | 118.9 (3) |
H1—Rh—Cl2 | 86.8 (14) | C20—C21—H21 | 120.0 |
H1—Rh—P1 | 86.6 (14) | C20—C21—C22 | 120.0 (4) |
H1—Rh—P2 | 81.9 (14) | H21—C21—C22 | 120.0 |
H1—Rh—P3 | 95.2 (14) | C21—C22—H22 | 119.7 |
Cl1—Rh—Cl2 | 92.75 (3) | C21—C22—C23 | 120.6 (4) |
Cl1—Rh—P1 | 89.66 (3) | H22—C22—C23 | 119.7 |
Cl1—Rh—P2 | 98.61 (3) | C22—C23—H23 | 120.1 |
Cl1—Rh—P3 | 88.45 (3) | C22—C23—C24 | 119.8 (4) |
Cl2—Rh—P1 | 83.91 (3) | H23—C23—C24 | 120.1 |
Cl2—Rh—P2 | 168.58 (3) | C23—C24—H24 | 120.0 |
Cl2—Rh—P3 | 84.78 (3) | C23—C24—C25 | 120.1 (4) |
P1—Rh—P2 | 97.13 (3) | H24—C24—C25 | 120.0 |
P1—Rh—P3 | 168.43 (3) | C20—C25—C24 | 120.7 (4) |
P2—Rh—P3 | 94.44 (3) | C20—C25—H25 | 119.7 |
Rh—P1—C1 | 117.45 (12) | C24—C25—H25 | 119.7 |
Rh—P1—C7 | 119.13 (12) | P2—C26—H26A | 109.5 |
Rh—P1—C13 | 110.48 (13) | P2—C26—H26B | 109.5 |
C1—P1—C7 | 104.27 (17) | P2—C26—H26C | 109.5 |
C1—P1—C13 | 102.04 (16) | H26A—C26—H26B | 109.5 |
C7—P1—C13 | 100.99 (17) | H26A—C26—H26C | 109.5 |
P1—C1—C2 | 119.7 (3) | H26B—C26—H26C | 109.5 |
P1—C1—C6 | 121.7 (3) | Rh—P3—C27 | 116.26 (12) |
C2—C1—C6 | 118.5 (3) | Rh—P3—C33 | 118.65 (12) |
C1—C2—H2 | 119.7 | Rh—P3—C39 | 111.90 (12) |
C1—C2—C3 | 120.6 (4) | C27—P3—C33 | 105.82 (17) |
H2—C2—C3 | 119.7 | C27—P3—C39 | 101.49 (17) |
C2—C3—H3 | 120.1 | C33—P3—C39 | 100.27 (17) |
C2—C3—C4 | 119.8 (4) | P3—C27—C28 | 120.8 (3) |
H3—C3—C4 | 120.1 | P3—C27—C32 | 120.6 (3) |
C3—C4—H4 | 119.8 | C28—C27—C32 | 118.5 (3) |
C3—C4—C5 | 120.5 (4) | C27—C28—H28 | 119.9 |
H4—C4—C5 | 119.8 | C27—C28—C29 | 120.3 (4) |
C4—C5—H5 | 120.1 | H28—C28—C29 | 119.9 |
C4—C5—C6 | 119.8 (4) | C28—C29—H29 | 119.8 |
H5—C5—C6 | 120.1 | C28—C29—C30 | 120.5 (4) |
C1—C6—C5 | 120.8 (4) | H29—C29—C30 | 119.8 |
C1—C6—H6 | 119.6 | C29—C30—H30 | 120.2 |
C5—C6—H6 | 119.6 | C29—C30—C31 | 119.7 (4) |
P1—C7—C8 | 123.6 (3) | H30—C30—C31 | 120.2 |
P1—C7—C12 | 117.6 (3) | C30—C31—H31 | 120.0 |
C8—C7—C12 | 118.7 (3) | C30—C31—C32 | 120.0 (4) |
C7—C8—H8 | 119.6 | H31—C31—C32 | 120.0 |
C7—C8—C9 | 120.9 (4) | C27—C32—C31 | 121.0 (3) |
H8—C8—C9 | 119.6 | C27—C32—H32 | 119.5 |
C8—C9—H9 | 120.3 | C31—C32—H32 | 119.5 |
C8—C9—C10 | 119.4 (4) | P3—C33—C34 | 123.2 (3) |
H9—C9—C10 | 120.3 | P3—C33—C38 | 117.9 (3) |
C9—C10—H10 | 119.7 | C34—C33—C38 | 118.8 (4) |
C9—C10—C11 | 120.7 (4) | C33—C34—H34 | 119.9 |
H10—C10—C11 | 119.7 | C33—C34—C35 | 120.2 (4) |
C10—C11—H11 | 119.9 | H34—C34—C35 | 119.9 |
C10—C11—C12 | 120.3 (4) | C34—C35—H35 | 120.0 |
H11—C11—C12 | 119.9 | C34—C35—C36 | 120.0 (4) |
C7—C12—C11 | 120.0 (4) | H35—C35—C36 | 120.0 |
C7—C12—H12 | 120.0 | C35—C36—H36 | 120.0 |
C11—C12—H12 | 120.0 | C35—C36—C37 | 120.1 (4) |
P1—C13—H13A | 109.5 | H36—C36—C37 | 120.0 |
P1—C13—H13B | 109.5 | C36—C37—H37 | 119.7 |
P1—C13—H13C | 109.5 | C36—C37—C38 | 120.5 (4) |
H13A—C13—H13B | 109.5 | H37—C37—C38 | 119.7 |
H13A—C13—H13C | 109.5 | C33—C38—C37 | 120.3 (4) |
H13B—C13—H13C | 109.5 | C33—C38—H38 | 119.9 |
Rh—P2—C14 | 116.55 (11) | C37—C38—H38 | 119.9 |
Rh—P2—C20 | 115.36 (12) | P3—C39—H39A | 109.5 |
Rh—P2—C26 | 114.45 (13) | P3—C39—H39B | 109.5 |
C14—P2—C20 | 96.89 (15) | P3—C39—H39C | 109.5 |
C14—P2—C26 | 105.91 (17) | H39A—C39—H39B | 109.5 |
C20—P2—C26 | 105.72 (18) | H39A—C39—H39C | 109.5 |
P2—C14—C15 | 118.0 (3) | H39B—C39—H39C | 109.5 |
P2—C14—C19 | 122.7 (3) | H40A—C40—H40B | 108.0 |
C15—C14—C19 | 119.0 (3) | H40A—C40—Cl3 | 109.3 |
C14—C15—H15 | 119.9 | H40A—C40—Cl4 | 109.3 |
C14—C15—C16 | 120.3 (4) | H40B—C40—Cl3 | 109.3 |
H15—C15—C16 | 119.9 | H40B—C40—Cl4 | 109.3 |
C15—C16—H16 | 120.0 | Cl3—C40—Cl4 | 111.6 (2) |
C15—C16—C17 | 119.9 (4) | H41A—C41—H41B | 107.9 |
H16—C16—C17 | 120.0 | H41A—C41—Cl5 | 109.2 |
C16—C17—H17 | 119.9 | H41A—C41—Cl6 | 109.2 |
C16—C17—C18 | 120.1 (4) | H41B—C41—Cl5 | 109.2 |
H17—C17—C18 | 119.9 | H41B—C41—Cl6 | 109.2 |
C17—C18—H18 | 119.7 | Cl5—C41—Cl6 | 112.2 (3) |
C17—C18—C19 | 120.6 (4) | H42A—C42—H42B | 107.9 |
H18—C18—C19 | 119.7 | H42A—C42—Cl7 | 109.1 |
C14—C19—C18 | 120.0 (4) | H42A—C42—Cl8 | 109.1 |
C14—C19—H19 | 120.0 | H42B—C42—Cl7 | 109.1 |
C18—C19—H19 | 120.0 | H42B—C42—Cl8 | 109.1 |
P2—C20—C21 | 121.9 (3) | Cl7—C42—Cl8 | 112.3 (3) |
P2—C20—C25 | 118.9 (3) |
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