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metal-organic compounds
The title complex, [RhCl3(PPh3)2(NCCD3)], crystallizes with two independent, but essentially identical, molecules in the asymmetric unit. Rh is octahedrally coordinated by three mer-chloro ligands, two mutually trans-phosphines, and a molecule of the NMR solvent perdeuteroacetonitrile.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536802012254/bt6163sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536802012254/bt6163Isup2.hkl |
CCDC reference: 193705
Key indicators
- Single-crystal X-ray study
- T = 160 K
- Mean (C-C) = 0.009 Å
- R factor = 0.053
- wR factor = 0.121
- Data-to-parameter ratio = 14.8
checkCIF results
No syntax errors found ADDSYM reports no extra symmetry 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:C38 H30 Cl3 D3 N1 P2 Rh1 Atom count from the _atom_site data: C38 H33 Cl3 N1 P2 Rh1 CELLZ_01 From the CIF: _cell_formula_units_Z 8 From the CIF: _chemical_formula_sum C38 H30 Cl3 D3 N P2 Rh TEST: Compare cell contents of formula and atom_site data atom Z*formula cif sites diff C 304.00 304.00 0.00 H 240.00 264.00 -24.00 Cl 24.00 24.00 0.00 D 24.00 0.00 24.00 N 8.00 8.00 0.00 P 16.00 16.00 0.00 Rh 8.00 8.00 0.00 Difference between formula and atom_site contents detected. ALERT: Large difference may be due to a symmetry error - see SYMMG tests
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.
trichloro(perdeuteroacetonitrile)bis(triphenylphosphine)rhodium(III) top
Crystal data top
[RhCl3(C18H15P)2(C2D3N)] | F(000) = 3152 |
Mr = 777.85 | Dx = 1.505 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
a = 26.4006 (9) Å | Cell parameters from 20658 reflections |
b = 14.1098 (6) Å | θ = 1.8–28.5° |
c = 19.8335 (12) Å | µ = 0.85 mm−1 |
β = 111.666 (2)° | T = 160 K |
V = 6866.2 (6) Å3 | Block, orange |
Z = 8 | 0.22 × 0.20 × 0.16 mm |
Data collection top
Siemens SMART CCD diffractometer | 12063 independent reflections |
Radiation source: fine-focus sealed tube | 9721 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.086 |
Detector resolution: 8.192 pixels mm-1 | θmax = 25.0°, θmin = 0.8° |
ω rotation with narrow frames scans | h = −31→18 |
Absorption correction: multi-scan (XPREP in SHELXTL; Sheldrick, 1997) | k = −16→16 |
Tmin = 0.83, Tmax = 0.88 | l = −23→23 |
35176 measured reflections |
Refinement top
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.053 | H-atom parameters constrained |
wR(F2) = 0.121 | w = 1/[σ2(Fo2) + 28.998P] where P = (Fo2 + 2Fc2)/3 |
S = 1.21 | (Δ/σ)max = 0.001 |
12063 reflections | Δρmax = 0.95 e Å−3 |
814 parameters | Δρmin = −0.88 e Å−3 |
0 restraints | Extinction correction: SHELXTL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.00013 (3) |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | ||
Rh1 | −0.045837 (15) | 0.24652 (3) | 0.05783 (2) | 0.01899 (11) | |
Cl1 | −0.04786 (6) | 0.41037 (10) | 0.03990 (8) | 0.0319 (3) | |
Cl2 | −0.04405 (5) | 0.07852 (9) | 0.06346 (7) | 0.0242 (3) | |
Cl3 | −0.06979 (5) | 0.27036 (9) | 0.15898 (6) | 0.0243 (3) | |
N1 | −0.02242 (17) | 0.2376 (4) | −0.0273 (2) | 0.0291 (11) | |
C1 | −0.0082 (3) | 0.2293 (5) | −0.0737 (3) | 0.0435 (16) | |
C2 | 0.0118 (4) | 0.2155 (8) | −0.1330 (4) | 0.074 (3) | |
H2A | 0.0448 | 0.2536 | −0.1236 | 0.111* | |
H2B | −0.0163 | 0.2355 | −0.1789 | 0.111* | |
H2C | 0.0203 | 0.1484 | −0.1359 | 0.111* | |
P1 | −0.14136 (5) | 0.24422 (10) | −0.01741 (7) | 0.0195 (3) | |
C3 | −0.1796 (2) | 0.3509 (4) | −0.0135 (3) | 0.0220 (11) | |
C4 | −0.1737 (2) | 0.4361 (4) | −0.0463 (3) | 0.0320 (13) | |
H4 | −0.1497 | 0.4391 | −0.0721 | 0.038* | |
C5 | −0.2026 (3) | 0.5155 (4) | −0.0412 (3) | 0.0376 (15) | |
H5 | −0.1985 | 0.5727 | −0.0640 | 0.045* | |
C6 | −0.2370 (3) | 0.5135 (4) | −0.0039 (3) | 0.0396 (15) | |
H6 | −0.2566 | 0.5687 | −0.0008 | 0.048* | |
C7 | −0.2430 (2) | 0.4305 (4) | 0.0292 (3) | 0.0335 (14) | |
H7 | −0.2669 | 0.4288 | 0.0551 | 0.040* | |
C8 | −0.2145 (2) | 0.3496 (4) | 0.0253 (3) | 0.0276 (12) | |
H8 | −0.2187 | 0.2931 | 0.0489 | 0.033* | |
C9 | −0.1518 (2) | 0.2221 (4) | −0.1130 (3) | 0.0272 (12) | |
C10 | −0.1262 (2) | 0.1420 (5) | −0.1267 (3) | 0.0352 (14) | |
H10 | −0.1064 | 0.1014 | −0.0876 | 0.042* | |
C11 | −0.1291 (3) | 0.1205 (6) | −0.1957 (4) | 0.0483 (19) | |
H11 | −0.1116 | 0.0654 | −0.2042 | 0.058* | |
C12 | −0.1577 (3) | 0.1800 (6) | −0.2529 (3) | 0.050 (2) | |
H12 | −0.1587 | 0.1673 | −0.3004 | 0.060* | |
C13 | −0.1846 (3) | 0.2574 (6) | −0.2404 (3) | 0.053 (2) | |
H13 | −0.2054 | 0.2963 | −0.2801 | 0.064* | |
C14 | −0.1820 (2) | 0.2805 (5) | −0.1702 (3) | 0.0372 (15) | |
H14 | −0.2005 | 0.3345 | −0.1621 | 0.045* | |
C15 | −0.1844 (2) | 0.1534 (4) | 0.0001 (3) | 0.0233 (11) | |
C16 | −0.1705 (2) | 0.1103 (4) | 0.0665 (3) | 0.0271 (12) | |
H16 | −0.1353 | 0.1202 | 0.1026 | 0.032* | |
C17 | −0.2077 (2) | 0.0519 (4) | 0.0811 (3) | 0.0366 (15) | |
H17 | −0.1976 | 0.0222 | 0.1272 | 0.044* | |
C18 | −0.2594 (2) | 0.0365 (4) | 0.0291 (3) | 0.0341 (14) | |
H18 | −0.2847 | −0.0035 | 0.0392 | 0.041* | |
C19 | −0.2733 (2) | 0.0804 (4) | −0.0374 (3) | 0.0299 (13) | |
H19 | −0.3086 | 0.0708 | −0.0731 | 0.036* | |
C20 | −0.2368 (2) | 0.1377 (4) | −0.0527 (3) | 0.0258 (12) | |
H20 | −0.2469 | 0.1668 | −0.0991 | 0.031* | |
P2 | 0.04758 (5) | 0.24824 (10) | 0.13843 (7) | 0.0212 (3) | |
C21 | 0.0980 (2) | 0.2169 (4) | 0.0986 (3) | 0.0296 (13) | |
C22 | 0.1476 (3) | 0.2647 (5) | 0.1173 (4) | 0.0431 (16) | |
H22 | 0.1540 | 0.3195 | 0.1472 | 0.052* | |
C23 | 0.1872 (3) | 0.2334 (5) | 0.0930 (5) | 0.0525 (19) | |
H23 | 0.2207 | 0.2667 | 0.1060 | 0.063* | |
C24 | 0.1783 (3) | 0.1531 (5) | 0.0495 (5) | 0.057 (2) | |
H24 | 0.2051 | 0.1329 | 0.0312 | 0.068* | |
C25 | 0.1303 (3) | 0.1030 (5) | 0.0331 (4) | 0.0408 (15) | |
H25 | 0.1243 | 0.0474 | 0.0041 | 0.049* | |
C26 | 0.0910 (2) | 0.1337 (4) | 0.0590 (3) | 0.0316 (13) | |
H26 | 0.0589 | 0.0972 | 0.0495 | 0.038* | |
C27 | 0.06710 (19) | 0.3661 (4) | 0.1778 (3) | 0.0214 (11) | |
C28 | 0.0723 (2) | 0.4418 (4) | 0.1353 (3) | 0.0285 (13) | |
H28 | 0.0686 | 0.4313 | 0.0864 | 0.034* | |
C29 | 0.0830 (2) | 0.5329 (4) | 0.1647 (3) | 0.0276 (12) | |
H29 | 0.0866 | 0.5843 | 0.1359 | 0.033* | |
C30 | 0.0884 (2) | 0.5484 (4) | 0.2362 (3) | 0.0316 (13) | |
H30 | 0.0963 | 0.6101 | 0.2565 | 0.038* | |
C31 | 0.0822 (2) | 0.4737 (4) | 0.2776 (3) | 0.0316 (13) | |
H31 | 0.0852 | 0.4846 | 0.3262 | 0.038* | |
C32 | 0.0716 (2) | 0.3830 (4) | 0.2490 (3) | 0.0250 (12) | |
H32 | 0.0674 | 0.3322 | 0.2780 | 0.030* | |
C33 | 0.0692 (2) | 0.1691 (4) | 0.2174 (3) | 0.0282 (13) | |
C34 | 0.1243 (2) | 0.1661 (5) | 0.2620 (4) | 0.0409 (16) | |
H34 | 0.1497 | 0.2035 | 0.2500 | 0.049* | |
C35 | 0.1425 (3) | 0.1094 (5) | 0.3234 (4) | 0.0449 (17) | |
H35 | 0.1800 | 0.1102 | 0.3536 | 0.054* | |
C36 | 0.1072 (2) | 0.0521 (5) | 0.3412 (3) | 0.0378 (15) | |
H36 | 0.1201 | 0.0130 | 0.3831 | 0.045* | |
C37 | 0.0528 (2) | 0.0524 (5) | 0.2973 (3) | 0.0382 (15) | |
H37 | 0.0281 | 0.0119 | 0.3082 | 0.046* | |
C38 | 0.0334 (2) | 0.1122 (4) | 0.2363 (3) | 0.0279 (12) | |
H38 | −0.0045 | 0.1138 | 0.2078 | 0.033* | |
Rh2 | −0.545782 (14) | 0.24312 (3) | −0.599891 (18) | 0.01381 (10) | |
Cl4 | −0.55814 (5) | 0.40511 (8) | −0.58182 (7) | 0.0211 (3) | |
Cl5 | −0.53843 (5) | 0.07534 (8) | −0.60854 (6) | 0.0169 (2) | |
Cl6 | −0.56515 (5) | 0.27404 (9) | −0.72291 (6) | 0.0186 (3) | |
N2 | −0.52469 (16) | 0.2249 (3) | −0.4930 (2) | 0.0193 (9) | |
C39 | −0.5116 (2) | 0.2122 (4) | −0.4326 (3) | 0.0220 (11) | |
C40 | −0.4935 (3) | 0.1935 (5) | −0.3550 (3) | 0.0412 (16) | |
H40A | −0.4625 | 0.2346 | −0.3290 | 0.062* | |
H40B | −0.4823 | 0.1270 | −0.3456 | 0.062* | |
H40C | −0.5234 | 0.2063 | −0.3383 | 0.062* | |
P3 | −0.63943 (5) | 0.22079 (9) | −0.61803 (7) | 0.0166 (3) | |
C41 | −0.6758 (2) | 0.1252 (4) | −0.6779 (3) | 0.0211 (11) | |
C42 | −0.6704 (2) | 0.1134 (5) | −0.7442 (3) | 0.0364 (15) | |
H42 | −0.6433 | 0.1479 | −0.7546 | 0.044* | |
C43 | −0.7041 (3) | 0.0519 (5) | −0.7950 (4) | 0.0490 (19) | |
H43 | −0.7001 | 0.0448 | −0.8404 | 0.059* | |
C44 | −0.7436 (2) | 0.0004 (4) | −0.7810 (3) | 0.0357 (14) | |
H44 | −0.7672 | −0.0407 | −0.8169 | 0.043* | |
C45 | −0.7483 (3) | 0.0091 (5) | −0.7157 (3) | 0.0416 (16) | |
H45 | −0.7747 | −0.0273 | −0.7052 | 0.050* | |
C46 | −0.7147 (3) | 0.0709 (5) | −0.6639 (3) | 0.0370 (15) | |
H46 | −0.7184 | 0.0762 | −0.6182 | 0.044* | |
C47 | −0.6447 (2) | 0.1908 (4) | −0.5316 (3) | 0.0214 (11) | |
C48 | −0.6259 (2) | 0.1019 (4) | −0.5020 (3) | 0.0284 (12) | |
H48 | −0.6136 | 0.0575 | −0.5286 | 0.034* | |
C49 | −0.6251 (2) | 0.0782 (5) | −0.4335 (3) | 0.0354 (14) | |
H49 | −0.6124 | 0.0175 | −0.4136 | 0.042* | |
C50 | −0.6428 (3) | 0.1432 (5) | −0.3942 (3) | 0.0416 (17) | |
H50 | −0.6425 | 0.1267 | −0.3476 | 0.050* | |
C51 | −0.6605 (3) | 0.2310 (5) | −0.4227 (3) | 0.0399 (16) | |
H51 | −0.6725 | 0.2751 | −0.3956 | 0.048* | |
C52 | −0.6613 (2) | 0.2565 (4) | −0.4910 (3) | 0.0306 (13) | |
H52 | −0.6729 | 0.3180 | −0.5099 | 0.037* | |
C53 | −0.6897 (2) | 0.3138 (4) | −0.6596 (3) | 0.0227 (11) | |
C54 | −0.7404 (2) | 0.3091 (4) | −0.6517 (3) | 0.0332 (13) | |
H54 | −0.7462 | 0.2653 | −0.6190 | 0.040* | |
C55 | −0.7823 (2) | 0.3700 (5) | −0.6929 (4) | 0.0414 (16) | |
H55 | −0.8166 | 0.3676 | −0.6877 | 0.050* | |
C56 | −0.7741 (2) | 0.4332 (4) | −0.7408 (3) | 0.0382 (15) | |
H56 | −0.8028 | 0.4741 | −0.7687 | 0.046* | |
C57 | −0.7247 (3) | 0.4369 (5) | −0.7481 (4) | 0.0414 (16) | |
H57 | −0.7192 | 0.4803 | −0.7814 | 0.050* | |
C58 | −0.6819 (2) | 0.3777 (4) | −0.7071 (3) | 0.0316 (13) | |
H58 | −0.6476 | 0.3816 | −0.7122 | 0.038* | |
P4 | −0.45247 (5) | 0.26227 (9) | −0.58441 (6) | 0.0161 (3) | |
C59 | −0.4242 (2) | 0.1853 (3) | −0.6360 (3) | 0.0202 (11) | |
C60 | −0.3678 (2) | 0.1854 (4) | −0.6181 (3) | 0.0313 (13) | |
H60 | −0.3448 | 0.2190 | −0.5765 | 0.038* | |
C61 | −0.3455 (3) | 0.1365 (5) | −0.6609 (4) | 0.0417 (16) | |
H61 | −0.3073 | 0.1379 | −0.6492 | 0.050* | |
C62 | −0.3783 (3) | 0.0855 (5) | −0.7206 (4) | 0.0428 (16) | |
H62 | −0.3627 | 0.0528 | −0.7500 | 0.051* | |
C63 | −0.4337 (2) | 0.0822 (4) | −0.7370 (3) | 0.0330 (13) | |
H63 | −0.4561 | 0.0459 | −0.7773 | 0.040* | |
C64 | −0.4570 (2) | 0.1315 (4) | −0.6955 (3) | 0.0250 (12) | |
H64 | −0.4952 | 0.1288 | −0.7074 | 0.030* | |
C65 | −0.4378 (2) | 0.3796 (3) | −0.6100 (3) | 0.0187 (10) | |
C66 | −0.4299 (2) | 0.3929 (4) | −0.6753 (3) | 0.0226 (11) | |
H66 | −0.4302 | 0.3396 | −0.7047 | 0.027* | |
C67 | −0.4218 (2) | 0.4828 (4) | −0.6975 (3) | 0.0301 (13) | |
H67 | −0.4167 | 0.4909 | −0.7421 | 0.036* | |
C68 | −0.4212 (2) | 0.5602 (4) | −0.6552 (3) | 0.0312 (13) | |
H68 | −0.4156 | 0.6218 | −0.6705 | 0.037* | |
C69 | −0.4288 (2) | 0.5485 (4) | −0.5904 (3) | 0.0273 (12) | |
H69 | −0.4274 | 0.6019 | −0.5606 | 0.033* | |
C70 | −0.4386 (2) | 0.4587 (4) | −0.5686 (3) | 0.0209 (11) | |
H70 | −0.4458 | 0.4515 | −0.5254 | 0.025* | |
C71 | −0.4048 (2) | 0.2421 (4) | −0.4909 (3) | 0.0234 (11) | |
C72 | −0.3680 (3) | 0.3088 (5) | −0.4506 (3) | 0.0409 (16) | |
H72 | −0.3665 | 0.3689 | −0.4712 | 0.049* | |
C73 | −0.3329 (3) | 0.2891 (5) | −0.3794 (4) | 0.054 (2) | |
H73 | −0.3075 | 0.3353 | −0.3519 | 0.065* | |
C74 | −0.3357 (3) | 0.2017 (5) | −0.3499 (3) | 0.0427 (16) | |
H74 | −0.3122 | 0.1878 | −0.3016 | 0.051* | |
C75 | −0.3722 (2) | 0.1345 (4) | −0.3894 (3) | 0.0332 (14) | |
H75 | −0.3739 | 0.0746 | −0.3685 | 0.040* | |
C76 | −0.4066 (2) | 0.1543 (4) | −0.4603 (3) | 0.0239 (11) | |
H76 | −0.4315 | 0.1075 | −0.4879 | 0.029* |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
Rh1 | 0.0171 (2) | 0.0192 (2) | 0.0215 (2) | −0.00385 (16) | 0.00810 (16) | −0.00266 (17) |
Cl1 | 0.0277 (7) | 0.0229 (7) | 0.0421 (8) | −0.0026 (6) | 0.0094 (6) | 0.0004 (6) |
Cl2 | 0.0213 (6) | 0.0214 (6) | 0.0297 (7) | −0.0050 (5) | 0.0090 (5) | −0.0044 (5) |
Cl3 | 0.0218 (6) | 0.0313 (7) | 0.0215 (6) | 0.0013 (5) | 0.0099 (5) | −0.0033 (5) |
N1 | 0.020 (2) | 0.052 (3) | 0.019 (2) | 0.002 (2) | 0.0111 (19) | −0.001 (2) |
C1 | 0.033 (3) | 0.061 (5) | 0.036 (3) | −0.001 (3) | 0.011 (3) | 0.002 (3) |
C2 | 0.071 (5) | 0.124 (8) | 0.044 (4) | 0.010 (6) | 0.039 (4) | 0.010 (5) |
P1 | 0.0179 (6) | 0.0227 (7) | 0.0180 (6) | −0.0017 (6) | 0.0067 (5) | 0.0008 (6) |
C3 | 0.019 (3) | 0.019 (3) | 0.023 (3) | 0.001 (2) | 0.002 (2) | 0.000 (2) |
C4 | 0.028 (3) | 0.030 (3) | 0.036 (3) | 0.001 (3) | 0.009 (3) | 0.004 (3) |
C5 | 0.040 (4) | 0.028 (3) | 0.039 (3) | 0.002 (3) | 0.008 (3) | 0.007 (3) |
C6 | 0.034 (3) | 0.028 (3) | 0.048 (4) | 0.012 (3) | 0.004 (3) | −0.002 (3) |
C7 | 0.032 (3) | 0.037 (4) | 0.029 (3) | 0.004 (3) | 0.010 (3) | −0.007 (3) |
C8 | 0.029 (3) | 0.028 (3) | 0.028 (3) | 0.000 (2) | 0.013 (2) | −0.002 (2) |
C9 | 0.024 (3) | 0.037 (3) | 0.021 (3) | −0.017 (3) | 0.009 (2) | −0.005 (2) |
C10 | 0.028 (3) | 0.050 (4) | 0.030 (3) | −0.012 (3) | 0.014 (3) | −0.009 (3) |
C11 | 0.042 (4) | 0.071 (5) | 0.041 (4) | −0.023 (4) | 0.026 (3) | −0.025 (4) |
C12 | 0.046 (4) | 0.080 (6) | 0.029 (3) | −0.041 (4) | 0.019 (3) | −0.021 (4) |
C13 | 0.053 (4) | 0.072 (5) | 0.028 (3) | −0.036 (4) | 0.007 (3) | 0.006 (4) |
C14 | 0.037 (3) | 0.049 (4) | 0.022 (3) | −0.019 (3) | 0.006 (2) | −0.001 (3) |
C15 | 0.020 (3) | 0.025 (3) | 0.029 (3) | 0.002 (2) | 0.013 (2) | −0.005 (2) |
C16 | 0.025 (3) | 0.024 (3) | 0.031 (3) | 0.003 (2) | 0.008 (2) | 0.005 (2) |
C17 | 0.030 (3) | 0.038 (4) | 0.046 (4) | 0.002 (3) | 0.019 (3) | 0.016 (3) |
C18 | 0.032 (3) | 0.024 (3) | 0.053 (4) | −0.006 (3) | 0.024 (3) | 0.002 (3) |
C19 | 0.023 (3) | 0.026 (3) | 0.042 (3) | −0.007 (2) | 0.013 (3) | −0.009 (3) |
C20 | 0.025 (3) | 0.026 (3) | 0.026 (3) | −0.002 (2) | 0.009 (2) | −0.004 (2) |
P2 | 0.0162 (6) | 0.0191 (7) | 0.0290 (7) | −0.0026 (5) | 0.0091 (5) | −0.0045 (6) |
C21 | 0.022 (3) | 0.024 (3) | 0.046 (3) | −0.005 (2) | 0.017 (3) | −0.005 (3) |
C22 | 0.038 (4) | 0.034 (4) | 0.062 (4) | −0.005 (3) | 0.023 (3) | −0.011 (3) |
C23 | 0.039 (4) | 0.033 (4) | 0.097 (6) | −0.001 (3) | 0.038 (4) | −0.004 (4) |
C24 | 0.048 (4) | 0.037 (4) | 0.106 (6) | −0.002 (3) | 0.052 (5) | −0.013 (4) |
C25 | 0.037 (4) | 0.029 (3) | 0.055 (4) | 0.000 (3) | 0.016 (3) | −0.014 (3) |
C26 | 0.029 (3) | 0.026 (3) | 0.041 (3) | −0.002 (3) | 0.014 (3) | −0.007 (3) |
C27 | 0.011 (2) | 0.020 (3) | 0.033 (3) | −0.002 (2) | 0.007 (2) | −0.009 (2) |
C28 | 0.026 (3) | 0.029 (3) | 0.030 (3) | 0.002 (2) | 0.011 (2) | −0.004 (2) |
C29 | 0.020 (3) | 0.023 (3) | 0.039 (3) | −0.008 (2) | 0.011 (2) | −0.003 (2) |
C30 | 0.022 (3) | 0.024 (3) | 0.048 (4) | −0.001 (2) | 0.012 (3) | −0.010 (3) |
C31 | 0.023 (3) | 0.035 (3) | 0.034 (3) | −0.004 (3) | 0.008 (2) | −0.012 (3) |
C32 | 0.021 (3) | 0.026 (3) | 0.027 (3) | −0.001 (2) | 0.007 (2) | −0.003 (2) |
C33 | 0.023 (3) | 0.020 (3) | 0.036 (3) | 0.007 (2) | 0.004 (2) | −0.004 (2) |
C34 | 0.022 (3) | 0.037 (4) | 0.056 (4) | −0.002 (3) | 0.006 (3) | 0.009 (3) |
C35 | 0.024 (3) | 0.044 (4) | 0.051 (4) | 0.000 (3) | −0.005 (3) | 0.014 (3) |
C36 | 0.033 (3) | 0.039 (4) | 0.034 (3) | 0.003 (3) | 0.004 (3) | 0.007 (3) |
C37 | 0.027 (3) | 0.047 (4) | 0.038 (3) | −0.002 (3) | 0.009 (3) | 0.007 (3) |
C38 | 0.019 (3) | 0.033 (3) | 0.027 (3) | −0.001 (2) | 0.002 (2) | 0.005 (2) |
Rh2 | 0.01454 (19) | 0.0138 (2) | 0.01279 (18) | −0.00040 (15) | 0.00472 (14) | −0.00056 (15) |
Cl4 | 0.0239 (6) | 0.0144 (6) | 0.0252 (6) | −0.0002 (5) | 0.0093 (5) | −0.0050 (5) |
Cl5 | 0.0205 (6) | 0.0111 (5) | 0.0188 (6) | −0.0015 (5) | 0.0070 (5) | −0.0022 (4) |
Cl6 | 0.0189 (6) | 0.0241 (6) | 0.0128 (5) | 0.0009 (5) | 0.0058 (4) | 0.0013 (5) |
N2 | 0.015 (2) | 0.021 (2) | 0.022 (2) | −0.0001 (18) | 0.0067 (17) | −0.0002 (18) |
C39 | 0.021 (3) | 0.024 (3) | 0.024 (3) | 0.001 (2) | 0.012 (2) | −0.003 (2) |
C40 | 0.038 (4) | 0.068 (5) | 0.014 (3) | 0.003 (3) | 0.005 (2) | 0.005 (3) |
P3 | 0.0156 (6) | 0.0179 (6) | 0.0166 (6) | −0.0016 (5) | 0.0062 (5) | −0.0017 (5) |
C41 | 0.018 (3) | 0.020 (3) | 0.024 (3) | 0.002 (2) | 0.007 (2) | 0.003 (2) |
C42 | 0.038 (3) | 0.043 (4) | 0.036 (3) | −0.015 (3) | 0.023 (3) | −0.018 (3) |
C43 | 0.042 (4) | 0.066 (5) | 0.042 (4) | −0.021 (4) | 0.019 (3) | −0.027 (4) |
C44 | 0.024 (3) | 0.035 (3) | 0.042 (3) | −0.009 (3) | 0.005 (3) | −0.018 (3) |
C45 | 0.040 (4) | 0.037 (4) | 0.044 (4) | −0.019 (3) | 0.012 (3) | −0.007 (3) |
C46 | 0.042 (4) | 0.040 (4) | 0.030 (3) | −0.018 (3) | 0.013 (3) | −0.006 (3) |
C47 | 0.019 (3) | 0.029 (3) | 0.018 (2) | −0.009 (2) | 0.008 (2) | −0.005 (2) |
C48 | 0.033 (3) | 0.028 (3) | 0.026 (3) | −0.004 (3) | 0.012 (2) | 0.000 (2) |
C49 | 0.039 (3) | 0.040 (4) | 0.023 (3) | −0.013 (3) | 0.007 (3) | 0.005 (3) |
C50 | 0.047 (4) | 0.060 (5) | 0.020 (3) | −0.029 (4) | 0.015 (3) | −0.009 (3) |
C51 | 0.044 (4) | 0.048 (4) | 0.035 (3) | −0.024 (3) | 0.022 (3) | −0.020 (3) |
C52 | 0.038 (3) | 0.025 (3) | 0.033 (3) | −0.014 (3) | 0.018 (3) | −0.011 (3) |
C53 | 0.015 (3) | 0.020 (3) | 0.031 (3) | 0.002 (2) | 0.006 (2) | −0.006 (2) |
C54 | 0.024 (3) | 0.032 (3) | 0.043 (3) | −0.001 (3) | 0.011 (3) | −0.005 (3) |
C55 | 0.022 (3) | 0.041 (4) | 0.061 (4) | 0.001 (3) | 0.015 (3) | −0.008 (3) |
C56 | 0.025 (3) | 0.032 (3) | 0.047 (4) | 0.011 (3) | 0.001 (3) | −0.009 (3) |
C57 | 0.036 (4) | 0.030 (3) | 0.049 (4) | 0.005 (3) | 0.005 (3) | 0.009 (3) |
C58 | 0.025 (3) | 0.029 (3) | 0.040 (3) | 0.003 (3) | 0.011 (3) | 0.004 (3) |
P4 | 0.0155 (6) | 0.0157 (6) | 0.0159 (6) | −0.0018 (5) | 0.0043 (5) | −0.0003 (5) |
C59 | 0.022 (3) | 0.013 (2) | 0.028 (3) | 0.004 (2) | 0.012 (2) | 0.003 (2) |
C60 | 0.024 (3) | 0.030 (3) | 0.041 (3) | −0.002 (3) | 0.014 (3) | −0.008 (3) |
C61 | 0.026 (3) | 0.047 (4) | 0.057 (4) | 0.007 (3) | 0.021 (3) | 0.000 (3) |
C62 | 0.040 (4) | 0.047 (4) | 0.052 (4) | 0.013 (3) | 0.029 (3) | −0.009 (3) |
C63 | 0.034 (3) | 0.037 (3) | 0.030 (3) | 0.006 (3) | 0.014 (3) | −0.004 (3) |
C64 | 0.023 (3) | 0.028 (3) | 0.026 (3) | 0.005 (2) | 0.011 (2) | 0.001 (2) |
C65 | 0.017 (2) | 0.016 (3) | 0.018 (2) | −0.001 (2) | 0.001 (2) | 0.003 (2) |
C66 | 0.027 (3) | 0.022 (3) | 0.018 (3) | −0.001 (2) | 0.008 (2) | −0.003 (2) |
C67 | 0.034 (3) | 0.030 (3) | 0.020 (3) | −0.002 (3) | 0.003 (2) | 0.008 (2) |
C68 | 0.032 (3) | 0.021 (3) | 0.037 (3) | −0.002 (2) | 0.009 (3) | 0.007 (3) |
C69 | 0.033 (3) | 0.013 (3) | 0.034 (3) | −0.003 (2) | 0.010 (3) | −0.005 (2) |
C70 | 0.023 (3) | 0.021 (3) | 0.019 (3) | −0.006 (2) | 0.009 (2) | −0.003 (2) |
C71 | 0.021 (3) | 0.030 (3) | 0.018 (2) | 0.000 (2) | 0.006 (2) | 0.003 (2) |
C72 | 0.036 (4) | 0.035 (4) | 0.037 (3) | −0.016 (3) | −0.002 (3) | 0.007 (3) |
C73 | 0.050 (4) | 0.045 (4) | 0.037 (4) | −0.018 (4) | −0.019 (3) | 0.008 (3) |
C74 | 0.040 (4) | 0.047 (4) | 0.025 (3) | −0.003 (3) | −0.007 (3) | 0.011 (3) |
C75 | 0.033 (3) | 0.031 (3) | 0.033 (3) | 0.002 (3) | 0.009 (3) | 0.011 (3) |
C76 | 0.020 (3) | 0.022 (3) | 0.028 (3) | −0.002 (2) | 0.007 (2) | −0.003 (2) |
Geometric parameters (Å, º) top
Rh1—Cl1 | 2.3367 (15) | Rh2—Cl4 | 2.3548 (12) |
Rh1—Cl2 | 2.3728 (14) | Rh2—Cl5 | 2.3867 (12) |
Rh1—Cl3 | 2.3398 (12) | Rh2—Cl6 | 2.3418 (11) |
Rh1—N1 | 2.006 (4) | Rh2—N2 | 1.999 (4) |
Rh1—P1 | 2.4102 (13) | Rh2—P3 | 2.3843 (13) |
Rh1—P2 | 2.3933 (13) | Rh2—P4 | 2.3826 (13) |
N1—C1 | 1.120 (7) | N2—C39 | 1.132 (6) |
C1—C2 | 1.469 (9) | C39—C40 | 1.457 (7) |
C2—H2A | 0.980 | C40—H40A | 0.980 |
C2—H2B | 0.980 | C40—H40B | 0.980 |
C2—H2C | 0.980 | C40—H40C | 0.980 |
P1—C3 | 1.831 (5) | P3—C41 | 1.819 (5) |
P1—C9 | 1.839 (5) | P3—C47 | 1.821 (5) |
P1—C15 | 1.830 (5) | P3—C53 | 1.832 (5) |
C3—C4 | 1.403 (8) | C41—C42 | 1.384 (7) |
C3—C8 | 1.401 (7) | C41—C46 | 1.389 (8) |
C4—H4 | 0.950 | C42—H42 | 0.950 |
C4—C5 | 1.381 (9) | C42—C43 | 1.378 (8) |
C5—H5 | 0.950 | C43—H43 | 0.950 |
C5—C6 | 1.368 (9) | C43—C44 | 1.382 (9) |
C6—H6 | 0.950 | C44—H44 | 0.950 |
C6—C7 | 1.380 (9) | C44—C45 | 1.351 (9) |
C7—H7 | 0.950 | C45—H45 | 0.950 |
C7—C8 | 1.384 (8) | C45—C46 | 1.390 (8) |
C8—H8 | 0.950 | C46—H46 | 0.950 |
C9—C10 | 1.394 (9) | C47—C48 | 1.397 (8) |
C9—C14 | 1.391 (8) | C47—C52 | 1.398 (7) |
C10—H10 | 0.950 | C48—H48 | 0.950 |
C10—C11 | 1.376 (8) | C48—C49 | 1.391 (8) |
C11—H11 | 0.950 | C49—H49 | 0.950 |
C11—C12 | 1.390 (11) | C49—C50 | 1.391 (9) |
C12—H12 | 0.950 | C50—H50 | 0.950 |
C12—C13 | 1.375 (11) | C50—C51 | 1.372 (10) |
C13—H13 | 0.950 | C51—H51 | 0.950 |
C13—C14 | 1.406 (9) | C51—C52 | 1.395 (8) |
C14—H14 | 0.950 | C52—H52 | 0.950 |
C15—C16 | 1.372 (8) | C53—C54 | 1.405 (8) |
C15—C20 | 1.410 (7) | C53—C58 | 1.374 (8) |
C16—H16 | 0.950 | C54—H54 | 0.950 |
C16—C17 | 1.391 (8) | C54—C55 | 1.399 (9) |
C17—H17 | 0.950 | C55—H55 | 0.950 |
C17—C18 | 1.393 (9) | C55—C56 | 1.376 (9) |
C18—H18 | 0.950 | C56—H56 | 0.950 |
C18—C19 | 1.377 (8) | C56—C57 | 1.368 (9) |
C19—H19 | 0.950 | C57—H57 | 0.950 |
C19—C20 | 1.376 (8) | C57—C58 | 1.398 (8) |
C20—H20 | 0.950 | C58—H58 | 0.950 |
P2—C21 | 1.836 (6) | P4—C59 | 1.829 (5) |
P2—C27 | 1.829 (5) | P4—C65 | 1.815 (5) |
P2—C33 | 1.835 (6) | P4—C71 | 1.838 (5) |
C21—C22 | 1.395 (8) | C59—C60 | 1.398 (7) |
C21—C26 | 1.386 (8) | C59—C64 | 1.402 (7) |
C22—H22 | 0.950 | C60—H60 | 0.950 |
C22—C23 | 1.376 (9) | C60—C61 | 1.383 (8) |
C23—H23 | 0.950 | C61—H61 | 0.950 |
C23—C24 | 1.391 (10) | C61—C62 | 1.382 (9) |
C24—H24 | 0.950 | C62—H62 | 0.950 |
C24—C25 | 1.381 (9) | C62—C63 | 1.376 (9) |
C25—H25 | 0.950 | C63—H63 | 0.950 |
C25—C26 | 1.387 (8) | C63—C64 | 1.382 (8) |
C26—H26 | 0.950 | C64—H64 | 0.950 |
C27—C28 | 1.398 (8) | C65—C66 | 1.397 (7) |
C27—C32 | 1.394 (7) | C65—C70 | 1.391 (7) |
C28—H28 | 0.950 | C66—H66 | 0.950 |
C28—C29 | 1.397 (8) | C66—C67 | 1.386 (8) |
C29—H29 | 0.950 | C67—H67 | 0.950 |
C29—C30 | 1.388 (8) | C67—C68 | 1.374 (8) |
C30—H30 | 0.950 | C68—H68 | 0.950 |
C30—C31 | 1.384 (8) | C68—C69 | 1.383 (8) |
C31—H31 | 0.950 | C69—H69 | 0.950 |
C31—C32 | 1.385 (8) | C69—C70 | 1.393 (7) |
C32—H32 | 0.950 | C70—H70 | 0.950 |
C33—C34 | 1.396 (8) | C71—C72 | 1.376 (8) |
C33—C38 | 1.392 (8) | C71—C76 | 1.389 (7) |
C34—H34 | 0.950 | C72—H72 | 0.950 |
C34—C35 | 1.386 (9) | C72—C73 | 1.401 (8) |
C35—H35 | 0.950 | C73—H73 | 0.950 |
C35—C36 | 1.375 (9) | C73—C74 | 1.380 (9) |
C36—H36 | 0.950 | C74—H74 | 0.950 |
C36—C37 | 1.378 (8) | C74—C75 | 1.372 (9) |
C37—H37 | 0.950 | C75—H75 | 0.950 |
C37—C38 | 1.407 (8) | C75—C76 | 1.391 (8) |
C38—H38 | 0.950 | C76—H76 | 0.950 |
Cl1—Rh1—Cl2 | 174.01 (5) | Cl4—Rh2—Cl5 | 173.32 (4) |
Cl1—Rh1—Cl3 | 89.43 (5) | Cl4—Rh2—Cl6 | 89.34 (4) |
Cl1—Rh1—N1 | 86.03 (15) | Cl4—Rh2—N2 | 87.93 (12) |
Cl1—Rh1—P1 | 87.66 (5) | Cl4—Rh2—P3 | 87.54 (4) |
Cl1—Rh1—P2 | 92.96 (5) | Cl4—Rh2—P4 | 93.73 (4) |
Cl2—Rh1—Cl3 | 96.33 (5) | Cl5—Rh2—Cl6 | 95.86 (4) |
Cl2—Rh1—N1 | 88.27 (15) | Cl5—Rh2—N2 | 87.14 (12) |
Cl2—Rh1—P1 | 90.79 (5) | Cl5—Rh2—P3 | 88.02 (4) |
Cl2—Rh1—P2 | 88.91 (5) | Cl5—Rh2—P4 | 90.81 (4) |
Cl3—Rh1—N1 | 174.94 (15) | Cl6—Rh2—N2 | 175.40 (12) |
Cl3—Rh1—P1 | 88.89 (4) | Cl6—Rh2—P3 | 92.98 (4) |
Cl3—Rh1—P2 | 87.93 (5) | Cl6—Rh2—P4 | 86.03 (4) |
N1—Rh1—P1 | 93.16 (13) | N2—Rh2—P3 | 90.59 (12) |
N1—Rh1—P2 | 90.07 (13) | N2—Rh2—P4 | 90.45 (12) |
P1—Rh1—P2 | 176.75 (5) | P3—Rh2—P4 | 178.39 (5) |
Rh1—N1—C1 | 177.1 (6) | Rh2—N2—C39 | 177.7 (4) |
N1—C1—C2 | 177.8 (8) | N2—C39—C40 | 178.1 (6) |
C1—C2—H2A | 109.5 | C39—C40—H40A | 109.5 |
C1—C2—H2B | 109.5 | C39—C40—H40B | 109.5 |
C1—C2—H2C | 109.5 | C39—C40—H40C | 109.5 |
H2A—C2—H2B | 109.5 | H40A—C40—H40B | 109.5 |
H2A—C2—H2C | 109.5 | H40A—C40—H40C | 109.5 |
H2B—C2—H2C | 109.5 | H40B—C40—H40C | 109.5 |
Rh1—P1—C3 | 115.49 (17) | Rh2—P3—C41 | 117.70 (17) |
Rh1—P1—C9 | 111.36 (18) | Rh2—P3—C47 | 108.95 (17) |
Rh1—P1—C15 | 118.25 (18) | Rh2—P3—C53 | 120.80 (18) |
C3—P1—C9 | 108.0 (3) | C41—P3—C47 | 103.7 (2) |
C3—P1—C15 | 100.1 (2) | C41—P3—C53 | 96.7 (2) |
C9—P1—C15 | 102.2 (2) | C47—P3—C53 | 107.2 (2) |
P1—C3—C4 | 121.8 (4) | P3—C41—C42 | 119.6 (4) |
P1—C3—C8 | 119.9 (4) | P3—C41—C46 | 122.0 (4) |
C4—C3—C8 | 118.3 (5) | C42—C41—C46 | 117.9 (5) |
C3—C4—H4 | 119.9 | C41—C42—H42 | 119.8 |
C3—C4—C5 | 120.1 (6) | C41—C42—C43 | 120.4 (6) |
H4—C4—C5 | 119.9 | H42—C42—C43 | 119.8 |
C4—C5—H5 | 119.4 | C42—C43—H43 | 119.5 |
C4—C5—C6 | 121.2 (6) | C42—C43—C44 | 121.0 (6) |
H5—C5—C6 | 119.4 | H43—C43—C44 | 119.5 |
C5—C6—H6 | 120.3 | C43—C44—H44 | 120.4 |
C5—C6—C7 | 119.4 (6) | C43—C44—C45 | 119.2 (6) |
H6—C6—C7 | 120.3 | H44—C44—C45 | 120.4 |
C6—C7—H7 | 119.6 | C44—C45—H45 | 119.7 |
C6—C7—C8 | 120.9 (6) | C44—C45—C46 | 120.5 (6) |
H7—C7—C8 | 119.6 | H45—C45—C46 | 119.7 |
C3—C8—C7 | 120.0 (5) | C41—C46—C45 | 120.9 (6) |
C3—C8—H8 | 120.0 | C41—C46—H46 | 119.5 |
C7—C8—H8 | 120.0 | C45—C46—H46 | 119.5 |
P1—C9—C10 | 116.1 (4) | P3—C47—C48 | 117.7 (4) |
P1—C9—C14 | 124.3 (5) | P3—C47—C52 | 122.4 (4) |
C10—C9—C14 | 119.6 (5) | C48—C47—C52 | 119.5 (5) |
C9—C10—H10 | 119.3 | C47—C48—H48 | 120.0 |
C9—C10—C11 | 121.3 (6) | C47—C48—C49 | 120.1 (5) |
H10—C10—C11 | 119.3 | H48—C48—C49 | 120.0 |
C10—C11—H11 | 120.2 | C48—C49—H49 | 120.0 |
C10—C11—C12 | 119.5 (7) | C48—C49—C50 | 120.1 (6) |
H11—C11—C12 | 120.2 | H49—C49—C50 | 120.0 |
C11—C12—H12 | 120.2 | C49—C50—H50 | 120.0 |
C11—C12—C13 | 119.6 (6) | C49—C50—C51 | 119.9 (5) |
H12—C12—C13 | 120.2 | H50—C50—C51 | 120.0 |
C12—C13—H13 | 119.2 | C50—C51—H51 | 119.5 |
C12—C13—C14 | 121.6 (7) | C50—C51—C52 | 120.9 (6) |
H13—C13—C14 | 119.2 | H51—C51—C52 | 119.5 |
C9—C14—C13 | 118.3 (7) | C47—C52—C51 | 119.5 (6) |
C9—C14—H14 | 120.8 | C47—C52—H52 | 120.3 |
C13—C14—H14 | 120.8 | C51—C52—H52 | 120.3 |
P1—C15—C16 | 121.9 (4) | P3—C53—C54 | 118.6 (4) |
P1—C15—C20 | 118.4 (4) | P3—C53—C58 | 120.8 (4) |
C16—C15—C20 | 119.1 (5) | C54—C53—C58 | 119.8 (5) |
C15—C16—H16 | 119.9 | C53—C54—H54 | 120.5 |
C15—C16—C17 | 120.2 (5) | C53—C54—C55 | 119.1 (6) |
H16—C16—C17 | 119.9 | H54—C54—C55 | 120.5 |
C16—C17—H17 | 119.6 | C54—C55—H55 | 119.7 |
C16—C17—C18 | 120.8 (6) | C54—C55—C56 | 120.7 (6) |
H17—C17—C18 | 119.6 | H55—C55—C56 | 119.7 |
C17—C18—H18 | 120.6 | C55—C56—H56 | 120.1 |
C17—C18—C19 | 118.7 (5) | C55—C56—C57 | 119.7 (6) |
H18—C18—C19 | 120.6 | H56—C56—C57 | 120.1 |
C18—C19—H19 | 119.5 | C56—C57—H57 | 119.6 |
C18—C19—C20 | 121.1 (5) | C56—C57—C58 | 120.9 (6) |
H19—C19—C20 | 119.5 | H57—C57—C58 | 119.6 |
C15—C20—C19 | 120.1 (5) | C53—C58—C57 | 119.9 (6) |
C15—C20—H20 | 119.9 | C53—C58—H58 | 120.1 |
C19—C20—H20 | 119.9 | C57—C58—H58 | 120.1 |
Rh1—P2—C21 | 116.24 (19) | Rh2—P4—C59 | 118.43 (17) |
Rh1—P2—C27 | 110.66 (16) | Rh2—P4—C65 | 112.65 (17) |
Rh1—P2—C33 | 118.86 (19) | Rh2—P4—C71 | 113.75 (17) |
C21—P2—C27 | 105.5 (2) | C59—P4—C65 | 102.3 (2) |
C21—P2—C33 | 100.1 (3) | C59—P4—C71 | 101.7 (2) |
C27—P2—C33 | 103.8 (2) | C65—P4—C71 | 106.6 (2) |
P2—C21—C22 | 121.8 (5) | P4—C59—C60 | 118.2 (4) |
P2—C21—C26 | 118.8 (4) | P4—C59—C64 | 122.8 (4) |
C22—C21—C26 | 118.5 (5) | C60—C59—C64 | 118.9 (5) |
C21—C22—H22 | 119.7 | C59—C60—H60 | 120.1 |
C21—C22—C23 | 120.7 (6) | C59—C60—C61 | 119.9 (6) |
H22—C22—C23 | 119.7 | H60—C60—C61 | 120.1 |
C22—C23—H23 | 119.9 | C60—C61—H61 | 119.6 |
C22—C23—C24 | 120.2 (6) | C60—C61—C62 | 120.8 (6) |
H23—C23—C24 | 119.9 | H61—C61—C62 | 119.6 |
C23—C24—H24 | 120.2 | C61—C62—H62 | 120.2 |
C23—C24—C25 | 119.5 (6) | C61—C62—C63 | 119.7 (6) |
H24—C24—C25 | 120.2 | H62—C62—C63 | 120.2 |
C24—C25—H25 | 120.0 | C62—C63—H63 | 119.7 |
C24—C25—C26 | 120.0 (6) | C62—C63—C64 | 120.6 (6) |
H25—C25—C26 | 120.0 | H63—C63—C64 | 119.7 |
C21—C26—C25 | 120.8 (5) | C59—C64—C63 | 120.2 (5) |
C21—C26—H26 | 119.6 | C59—C64—H64 | 119.9 |
C25—C26—H26 | 119.6 | C63—C64—H64 | 119.9 |
P2—C27—C28 | 120.8 (4) | P4—C65—C66 | 120.1 (4) |
P2—C27—C32 | 119.5 (4) | P4—C65—C70 | 121.1 (4) |
C28—C27—C32 | 119.3 (5) | C66—C65—C70 | 118.7 (5) |
C27—C28—H28 | 120.0 | C65—C66—H66 | 119.6 |
C27—C28—C29 | 120.1 (5) | C65—C66—C67 | 120.7 (5) |
H28—C28—C29 | 120.0 | H66—C66—C67 | 119.6 |
C28—C29—H29 | 120.0 | C66—C67—H67 | 119.9 |
C28—C29—C30 | 120.0 (5) | C66—C67—C68 | 120.1 (5) |
H29—C29—C30 | 120.0 | H67—C67—C68 | 119.9 |
C29—C30—H30 | 120.1 | C67—C68—H68 | 120.0 |
C29—C30—C31 | 119.8 (5) | C67—C68—C69 | 120.0 (5) |
H30—C30—C31 | 120.1 | H68—C68—C69 | 120.0 |
C30—C31—H31 | 119.6 | C68—C69—H69 | 119.8 |
C30—C31—C32 | 120.8 (5) | C68—C69—C70 | 120.3 (5) |
H31—C31—C32 | 119.6 | H69—C69—C70 | 119.8 |
C27—C32—C31 | 120.1 (5) | C65—C70—C69 | 120.1 (5) |
C27—C32—H32 | 120.0 | C65—C70—H70 | 119.9 |
C31—C32—H32 | 120.0 | C69—C70—H70 | 119.9 |
P2—C33—C34 | 118.8 (5) | P4—C71—C72 | 123.7 (4) |
P2—C33—C38 | 123.6 (4) | P4—C71—C76 | 117.3 (4) |
C34—C33—C38 | 117.6 (5) | C72—C71—C76 | 119.0 (5) |
C33—C34—H34 | 119.5 | C71—C72—H72 | 119.6 |
C33—C34—C35 | 121.1 (6) | C71—C72—C73 | 120.9 (6) |
H34—C34—C35 | 119.5 | H72—C72—C73 | 119.6 |
C34—C35—H35 | 119.4 | C72—C73—H73 | 120.5 |
C34—C35—C36 | 121.1 (6) | C72—C73—C74 | 119.0 (6) |
H35—C35—C36 | 119.4 | H73—C73—C74 | 120.5 |
C35—C36—H36 | 120.5 | C73—C74—H74 | 119.6 |
C35—C36—C37 | 118.9 (6) | C73—C74—C75 | 120.8 (5) |
H36—C36—C37 | 120.5 | H74—C74—C75 | 119.6 |
C36—C37—H37 | 119.7 | C74—C75—H75 | 120.1 |
C36—C37—C38 | 120.5 (6) | C74—C75—C76 | 119.8 (5) |
H37—C37—C38 | 119.7 | H75—C75—C76 | 120.1 |
C33—C38—C37 | 120.7 (5) | C71—C76—C75 | 120.5 (5) |
C33—C38—H38 | 119.7 | C71—C76—H76 | 119.8 |
C37—C38—H38 | 119.7 | C75—C76—H76 | 119.8 |
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