Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805005738/wk6036sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536805005738/wk6036Isup2.hkl |
CCDC reference: 270560
Data collection: SMART-NT (Bruker, 1998); cell refinement: SAINT-Plus (Bruker, 1999); data reduction: SAINT-Plus and XPREP (Bruker, 1999); program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Brandenburg & Berndt, 2001); software used to prepare material for publication: WinGX (Farrugia, 1999).
[RhCl(C21H21P)2(CO)]·CH2Cl2 | Z = 2 |
Mr = 859.99 | F(000) = 884 |
Triclinic, P1 | Dx = 1.386 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 10.061 (2) Å | Cell parameters from 814 reflections |
b = 11.763 (2) Å | θ = 2.6–22.6° |
c = 19.337 (4) Å | µ = 0.72 mm−1 |
α = 100.87 (3)° | T = 293 K |
β = 100.71 (3)° | Rectangle, yellow |
γ = 108.14 (3)° | 0.60 × 0.22 × 0.12 mm |
V = 2061.0 (9) Å3 |
Bruker SMART CCD 1K diffractometer | 5105 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.047 |
ω scans | θmax = 27.0°, θmin = 1.1° |
Absorption correction: multi-scan SADABS (Bruker, 1998) | h = −12→12 |
Tmin = 0.672, Tmax = 0.919 | k = −14→15 |
13219 measured reflections | l = −24→24 |
8864 independent reflections |
Refinement on F2 | 0 restraints |
Least-squares matrix: full | H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.062 | w = 1/[σ2(Fo2) + (0.0525P)2 + 1.6693P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.151 | (Δ/σ)max = 0.001 |
S = 1.02 | Δρmax = 0.84 e Å−3 |
8864 reflections | Δρmin = −0.73 e Å−3 |
464 parameters |
Experimental. The intensity data was collected on a Siemens SMART CCD 1 K diffractometer using an exposure time of 10 s/frame. A total of 1350 frames were collected with a frame width of 0.3° covering up to θ = 26.99° with 98.5% completeness accomplished. The first 50 frames were recollected at the end of each data collection to check for decay; none was found. |
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. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Rh | 0.26170 (5) | 0.20464 (4) | 0.72527 (2) | 0.02874 (14) | |
P1 | 0.26797 (16) | 0.31120 (13) | 0.63555 (7) | 0.0317 (3) | |
P2 | 0.25787 (16) | 0.10801 (13) | 0.81974 (7) | 0.0311 (3) | |
C | 0.2755 (7) | 0.0761 (6) | 0.6644 (3) | 0.0421 (15) | |
O | 0.2763 (6) | −0.0096 (4) | 0.6241 (3) | 0.0698 (15) | |
Cl1 | 0.21963 (17) | 0.36651 (13) | 0.80029 (7) | 0.0415 (4) | |
C11 | 0.2607 (6) | 0.2221 (5) | 0.5456 (3) | 0.0357 (13) | |
C12 | 0.3839 (7) | 0.2075 (6) | 0.5296 (3) | 0.0422 (15) | |
H12 | 0.4722 | 0.2488 | 0.5645 | 0.051* | |
C13 | 0.3818 (7) | 0.1344 (6) | 0.4642 (3) | 0.0474 (16) | |
C14 | 0.2499 (8) | 0.0717 (6) | 0.4144 (3) | 0.0566 (18) | |
H14 | 0.2455 | 0.0219 | 0.3699 | 0.068* | |
C15 | 0.1241 (7) | 0.0807 (6) | 0.4286 (3) | 0.0542 (18) | |
H15 | 0.0356 | 0.0355 | 0.3945 | 0.065* | |
C16 | 0.1295 (7) | 0.1570 (6) | 0.4938 (3) | 0.0438 (15) | |
H16 | 0.0447 | 0.1647 | 0.5029 | 0.053* | |
C17 | 0.5195 (9) | 0.1249 (8) | 0.4472 (4) | 0.089 (3) | |
H17A | 0.5728 | 0.104 | 0.4863 | 0.133* | |
H17B | 0.5778 | 0.203 | 0.4418 | 0.133* | |
H17C | 0.4954 | 0.0616 | 0.4027 | 0.133* | |
C21 | 0.1188 (6) | 0.3677 (6) | 0.6195 (3) | 0.0372 (14) | |
C22 | 0.1344 (7) | 0.4845 (6) | 0.6097 (3) | 0.0463 (16) | |
H22 | 0.2256 | 0.5374 | 0.6104 | 0.056* | |
C23 | 0.0182 (10) | 0.5252 (8) | 0.5988 (3) | 0.066 (2) | |
C24 | −0.1150 (10) | 0.4444 (9) | 0.5965 (4) | 0.080 (3) | |
H24 | −0.1941 | 0.4697 | 0.5887 | 0.096* | |
C25 | −0.1367 (8) | 0.3277 (8) | 0.6052 (4) | 0.071 (2) | |
H25 | −0.2291 | 0.2747 | 0.6025 | 0.085* | |
C26 | −0.0186 (7) | 0.2893 (7) | 0.6183 (3) | 0.0535 (17) | |
H26 | −0.0313 | 0.2115 | 0.6262 | 0.064* | |
C27 | 0.0409 (10) | 0.6552 (8) | 0.5920 (4) | 0.089 (3) | |
H27A | 0.1266 | 0.6856 | 0.5757 | 0.133* | |
H27B | 0.052 | 0.7082 | 0.6387 | 0.133* | |
H27C | −0.0413 | 0.6546 | 0.5574 | 0.133* | |
C31 | 0.4310 (6) | 0.4491 (5) | 0.6561 (3) | 0.0341 (13) | |
C32 | 0.5101 (6) | 0.5047 (5) | 0.7280 (3) | 0.0385 (14) | |
H32 | 0.4813 | 0.4686 | 0.7642 | 0.046* | |
C33 | 0.6308 (7) | 0.6124 (6) | 0.7476 (3) | 0.0463 (15) | |
C34 | 0.6753 (7) | 0.6645 (6) | 0.6934 (4) | 0.0542 (17) | |
H34 | 0.7566 | 0.7366 | 0.7057 | 0.065* | |
C35 | 0.6002 (8) | 0.6104 (6) | 0.6221 (4) | 0.0550 (18) | |
H35 | 0.6319 | 0.6454 | 0.5861 | 0.066* | |
C36 | 0.4771 (7) | 0.5036 (6) | 0.6024 (3) | 0.0485 (16) | |
H36 | 0.4256 | 0.4686 | 0.5537 | 0.058* | |
C37 | 0.7120 (8) | 0.6734 (7) | 0.8274 (3) | 0.071 (2) | |
H37A | 0.6442 | 0.6797 | 0.8556 | 0.107* | |
H37B | 0.7791 | 0.7547 | 0.8322 | 0.107* | |
H37C | 0.764 | 0.6241 | 0.8449 | 0.107* | |
C41 | 0.2706 (6) | −0.0471 (5) | 0.8020 (3) | 0.0345 (13) | |
C42 | 0.1661 (6) | −0.1507 (5) | 0.8071 (3) | 0.0366 (13) | |
H42 | 0.0841 | −0.1434 | 0.8201 | 0.044* | |
C43 | 0.1803 (7) | −0.2671 (5) | 0.7930 (3) | 0.0402 (14) | |
C44 | 0.3018 (7) | −0.2763 (6) | 0.7747 (3) | 0.0436 (15) | |
H44 | 0.3131 | −0.3528 | 0.7654 | 0.052* | |
C45 | 0.4088 (7) | −0.1719 (6) | 0.7698 (3) | 0.0527 (17) | |
H45 | 0.4922 | −0.1786 | 0.7581 | 0.063* | |
C46 | 0.3917 (7) | −0.0588 (6) | 0.7822 (3) | 0.0480 (16) | |
H46 | 0.4621 | 0.0101 | 0.7773 | 0.058* | |
C47 | 0.0628 (7) | −0.3786 (6) | 0.7979 (4) | 0.0587 (18) | |
H47A | −0.0252 | −0.3934 | 0.7622 | 0.088* | |
H47B | 0.0473 | −0.3641 | 0.8458 | 0.088* | |
H47C | 0.091 | −0.4497 | 0.7888 | 0.088* | |
C51 | 0.0875 (6) | 0.0859 (5) | 0.8458 (3) | 0.0343 (13) | |
C52 | 0.0792 (7) | 0.1327 (6) | 0.9149 (3) | 0.0427 (15) | |
H52 | 0.1644 | 0.1774 | 0.9514 | 0.051* | |
C53 | −0.0525 (8) | 0.1151 (6) | 0.9316 (3) | 0.0534 (17) | |
C54 | −0.1772 (7) | 0.0510 (7) | 0.8771 (4) | 0.0580 (18) | |
H54 | −0.2665 | 0.0399 | 0.8872 | 0.07* | |
C55 | −0.1721 (7) | 0.0031 (7) | 0.8079 (4) | 0.0595 (19) | |
H55 | −0.2579 | −0.0419 | 0.7718 | 0.071* | |
C56 | −0.0408 (7) | 0.0209 (6) | 0.7910 (3) | 0.0470 (16) | |
H56 | −0.038 | −0.0101 | 0.7436 | 0.056* | |
C57 | −0.0563 (9) | 0.1705 (9) | 1.0086 (4) | 0.093 (3) | |
H57A | −0.0386 | 0.2575 | 1.0156 | 0.14* | |
H57B | 0.0171 | 0.1593 | 1.0432 | 0.14* | |
H57C | −0.1497 | 0.1298 | 1.0155 | 0.14* | |
C61 | 0.4005 (6) | 0.1886 (5) | 0.9046 (3) | 0.0361 (13) | |
C62 | 0.4921 (6) | 0.3099 (5) | 0.9164 (3) | 0.0401 (14) | |
H62 | 0.4824 | 0.3497 | 0.8795 | 0.048* | |
C63 | 0.5989 (7) | 0.3746 (6) | 0.9819 (3) | 0.0482 (16) | |
C64 | 0.6101 (8) | 0.3128 (7) | 1.0354 (3) | 0.0587 (19) | |
H64 | 0.6786 | 0.3543 | 1.0799 | 0.07* | |
C65 | 0.5227 (9) | 0.1913 (8) | 1.0247 (4) | 0.070 (2) | |
H65 | 0.5344 | 0.1515 | 1.0614 | 0.083* | |
C66 | 0.4173 (7) | 0.1279 (6) | 0.9596 (3) | 0.0501 (16) | |
H66 | 0.3582 | 0.0459 | 0.9526 | 0.06* | |
C67 | 0.6948 (8) | 0.5057 (6) | 0.9941 (4) | 0.071 (2) | |
H67A | 0.7278 | 0.5457 | 1.0454 | 0.107* | |
H67B | 0.6417 | 0.5484 | 0.9697 | 0.107* | |
H67C | 0.7767 | 0.5076 | 0.9749 | 0.107* | |
C1A | 0.836 (2) | 0.307 (2) | 0.7749 (11) | 0.064 (6)* | 0.426 (11) |
H1A1 | 0.9057 | 0.2664 | 0.7796 | 0.077* | 0.426 (11) |
H1A2 | 0.8688 | 0.3719 | 0.7507 | 0.077* | 0.426 (11) |
Cl2A | 0.8275 (11) | 0.3715 (7) | 0.8576 (5) | 0.110 (3)* | 0.426 (11) |
Cl3A | 0.6616 (7) | 0.1950 (8) | 0.7187 (5) | 0.104 (3)* | 0.426 (11) |
C1B | 0.862 (2) | 0.300 (2) | 0.8000 (11) | 0.104 (7)* | 0.574 (11) |
H1B1 | 0.8865 | 0.2272 | 0.801 | 0.125* | 0.574 (11) |
H1B2 | 0.9188 | 0.3473 | 0.7727 | 0.125* | 0.574 (11) |
Cl2B | 0.8990 (8) | 0.3896 (5) | 0.8876 (4) | 0.110 (2)* | 0.574 (11) |
Cl3B | 0.6654 (6) | 0.2538 (7) | 0.7557 (4) | 0.126 (2)* | 0.574 (11) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Rh | 0.0329 (3) | 0.0265 (2) | 0.0284 (2) | 0.01179 (19) | 0.00847 (18) | 0.00841 (18) |
P1 | 0.0381 (9) | 0.0309 (8) | 0.0275 (8) | 0.0145 (7) | 0.0082 (6) | 0.0074 (6) |
P2 | 0.0340 (9) | 0.0277 (8) | 0.0302 (8) | 0.0089 (7) | 0.0079 (6) | 0.0083 (6) |
C | 0.061 (4) | 0.037 (4) | 0.039 (3) | 0.024 (3) | 0.018 (3) | 0.016 (3) |
O | 0.112 (4) | 0.054 (3) | 0.061 (3) | 0.048 (3) | 0.035 (3) | 0.012 (3) |
Cl1 | 0.0579 (10) | 0.0357 (8) | 0.0372 (8) | 0.0238 (8) | 0.0179 (7) | 0.0069 (6) |
C11 | 0.048 (4) | 0.034 (3) | 0.030 (3) | 0.017 (3) | 0.010 (3) | 0.014 (3) |
C12 | 0.044 (4) | 0.048 (4) | 0.037 (3) | 0.020 (3) | 0.010 (3) | 0.012 (3) |
C13 | 0.056 (4) | 0.054 (4) | 0.040 (4) | 0.027 (4) | 0.019 (3) | 0.012 (3) |
C14 | 0.073 (5) | 0.056 (4) | 0.034 (4) | 0.025 (4) | 0.009 (3) | −0.002 (3) |
C15 | 0.049 (4) | 0.060 (5) | 0.042 (4) | 0.018 (4) | 0.004 (3) | −0.003 (3) |
C16 | 0.046 (4) | 0.045 (4) | 0.039 (3) | 0.018 (3) | 0.011 (3) | 0.007 (3) |
C17 | 0.080 (6) | 0.119 (8) | 0.068 (5) | 0.049 (6) | 0.030 (4) | −0.006 (5) |
C21 | 0.043 (4) | 0.046 (4) | 0.027 (3) | 0.024 (3) | 0.006 (3) | 0.007 (3) |
C22 | 0.062 (4) | 0.048 (4) | 0.032 (3) | 0.029 (4) | 0.008 (3) | 0.007 (3) |
C23 | 0.089 (6) | 0.083 (6) | 0.040 (4) | 0.060 (6) | 0.006 (4) | 0.011 (4) |
C24 | 0.089 (7) | 0.115 (8) | 0.058 (5) | 0.080 (7) | 0.005 (5) | 0.013 (5) |
C25 | 0.045 (5) | 0.096 (7) | 0.073 (5) | 0.034 (5) | 0.012 (4) | 0.012 (5) |
C26 | 0.053 (5) | 0.057 (4) | 0.054 (4) | 0.024 (4) | 0.014 (3) | 0.015 (3) |
C27 | 0.148 (9) | 0.092 (6) | 0.062 (5) | 0.089 (7) | 0.020 (5) | 0.030 (5) |
C31 | 0.043 (4) | 0.032 (3) | 0.033 (3) | 0.018 (3) | 0.012 (3) | 0.014 (3) |
C32 | 0.036 (4) | 0.036 (3) | 0.041 (3) | 0.010 (3) | 0.009 (3) | 0.011 (3) |
C33 | 0.045 (4) | 0.044 (4) | 0.043 (4) | 0.012 (3) | 0.006 (3) | 0.009 (3) |
C34 | 0.057 (5) | 0.040 (4) | 0.056 (4) | 0.005 (3) | 0.017 (4) | 0.008 (3) |
C35 | 0.072 (5) | 0.038 (4) | 0.060 (4) | 0.011 (4) | 0.036 (4) | 0.020 (3) |
C36 | 0.061 (5) | 0.042 (4) | 0.040 (4) | 0.014 (3) | 0.015 (3) | 0.011 (3) |
C37 | 0.065 (5) | 0.061 (5) | 0.059 (5) | 0.000 (4) | −0.007 (4) | 0.012 (4) |
C41 | 0.038 (4) | 0.033 (3) | 0.030 (3) | 0.013 (3) | 0.001 (2) | 0.009 (2) |
C42 | 0.044 (4) | 0.031 (3) | 0.034 (3) | 0.012 (3) | 0.011 (3) | 0.011 (3) |
C43 | 0.046 (4) | 0.029 (3) | 0.041 (3) | 0.012 (3) | 0.009 (3) | 0.007 (3) |
C44 | 0.055 (4) | 0.035 (4) | 0.044 (4) | 0.022 (3) | 0.009 (3) | 0.012 (3) |
C45 | 0.048 (4) | 0.062 (5) | 0.063 (4) | 0.034 (4) | 0.022 (3) | 0.021 (4) |
C46 | 0.051 (4) | 0.041 (4) | 0.059 (4) | 0.020 (3) | 0.017 (3) | 0.020 (3) |
C47 | 0.062 (5) | 0.036 (4) | 0.084 (5) | 0.018 (4) | 0.022 (4) | 0.025 (4) |
C51 | 0.038 (3) | 0.035 (3) | 0.030 (3) | 0.011 (3) | 0.009 (3) | 0.011 (3) |
C52 | 0.042 (4) | 0.046 (4) | 0.036 (3) | 0.012 (3) | 0.011 (3) | 0.007 (3) |
C53 | 0.055 (5) | 0.061 (5) | 0.046 (4) | 0.017 (4) | 0.025 (3) | 0.012 (3) |
C54 | 0.046 (4) | 0.064 (5) | 0.064 (5) | 0.015 (4) | 0.024 (4) | 0.016 (4) |
C55 | 0.036 (4) | 0.063 (5) | 0.065 (5) | 0.007 (4) | 0.005 (3) | 0.009 (4) |
C56 | 0.044 (4) | 0.045 (4) | 0.043 (4) | 0.010 (3) | 0.009 (3) | 0.004 (3) |
C57 | 0.084 (6) | 0.126 (8) | 0.066 (5) | 0.030 (6) | 0.043 (5) | 0.007 (5) |
C61 | 0.042 (4) | 0.038 (3) | 0.030 (3) | 0.017 (3) | 0.007 (3) | 0.009 (3) |
C62 | 0.036 (4) | 0.044 (4) | 0.033 (3) | 0.008 (3) | 0.006 (3) | 0.006 (3) |
C63 | 0.038 (4) | 0.055 (4) | 0.037 (4) | 0.008 (3) | 0.004 (3) | −0.001 (3) |
C64 | 0.060 (5) | 0.065 (5) | 0.037 (4) | 0.018 (4) | −0.003 (3) | 0.002 (4) |
C65 | 0.086 (6) | 0.079 (6) | 0.040 (4) | 0.033 (5) | −0.002 (4) | 0.019 (4) |
C66 | 0.057 (4) | 0.039 (4) | 0.048 (4) | 0.012 (3) | 0.003 (3) | 0.015 (3) |
C67 | 0.065 (5) | 0.059 (5) | 0.058 (5) | −0.003 (4) | 0.009 (4) | −0.006 (4) |
Rh—C | 1.792 (6) | C37—H37C | 0.96 |
Rh—P1 | 2.3231 (16) | C41—C42 | 1.373 (8) |
Rh—P2 | 2.3266 (16) | C41—C46 | 1.381 (8) |
Rh—Cl1 | 2.3659 (15) | C42—C43 | 1.403 (7) |
P1—C21 | 1.821 (6) | C42—H42 | 0.93 |
P1—C31 | 1.827 (6) | C43—C44 | 1.363 (8) |
P1—C11 | 1.829 (5) | C43—C47 | 1.500 (8) |
P2—C61 | 1.828 (6) | C44—C45 | 1.391 (9) |
P2—C51 | 1.831 (6) | C44—H44 | 0.93 |
P2—C41 | 1.841 (5) | C45—C46 | 1.377 (8) |
C—O | 1.156 (6) | C45—H45 | 0.93 |
C11—C12 | 1.385 (7) | C46—H46 | 0.93 |
C11—C16 | 1.386 (8) | C47—H47A | 0.96 |
C12—C13 | 1.380 (7) | C47—H47B | 0.96 |
C12—H12 | 0.93 | C47—H47C | 0.96 |
C13—C14 | 1.371 (9) | C51—C52 | 1.373 (7) |
C13—C17 | 1.514 (9) | C51—C56 | 1.395 (8) |
C14—C15 | 1.374 (8) | C52—C53 | 1.384 (8) |
C14—H14 | 0.93 | C52—H52 | 0.93 |
C15—C16 | 1.385 (7) | C53—C54 | 1.369 (9) |
C15—H15 | 0.93 | C53—C57 | 1.520 (8) |
C16—H16 | 0.93 | C54—C55 | 1.367 (8) |
C17—H17A | 0.96 | C54—H54 | 0.93 |
C17—H17B | 0.96 | C55—C56 | 1.382 (8) |
C17—H17C | 0.96 | C55—H55 | 0.93 |
C21—C22 | 1.387 (8) | C56—H56 | 0.93 |
C21—C26 | 1.395 (8) | C57—H57A | 0.96 |
C22—C23 | 1.392 (9) | C57—H57B | 0.96 |
C22—H22 | 0.93 | C57—H57C | 0.96 |
C23—C24 | 1.368 (11) | C61—C62 | 1.384 (8) |
C23—C27 | 1.509 (10) | C61—C66 | 1.402 (8) |
C24—C25 | 1.369 (11) | C62—C63 | 1.399 (8) |
C24—H24 | 0.93 | C62—H62 | 0.93 |
C25—C26 | 1.395 (9) | C63—C64 | 1.380 (9) |
C25—H25 | 0.93 | C63—C67 | 1.489 (9) |
C26—H26 | 0.93 | C64—C65 | 1.378 (10) |
C27—H27A | 0.96 | C64—H64 | 0.93 |
C27—H27B | 0.96 | C65—C66 | 1.386 (9) |
C27—H27C | 0.96 | C65—H65 | 0.93 |
C31—C32 | 1.385 (7) | C66—H66 | 0.93 |
C31—C36 | 1.395 (7) | C67—H67A | 0.96 |
C32—C33 | 1.383 (8) | C67—H67B | 0.96 |
C32—H32 | 0.93 | C67—H67C | 0.96 |
C33—C34 | 1.386 (8) | C1A—Cl2A | 1.66 (2) |
C33—C37 | 1.521 (8) | C1A—Cl3A | 1.82 (2) |
C34—C35 | 1.363 (9) | C1A—H1A1 | 0.97 |
C34—H34 | 0.93 | C1A—H1A2 | 0.97 |
C35—C36 | 1.391 (9) | C1B—Cl2B | 1.72 (2) |
C35—H35 | 0.93 | C1B—Cl3B | 1.86 (2) |
C36—H36 | 0.93 | C1B—H1B1 | 0.97 |
C37—H37A | 0.96 | C1B—H1B2 | 0.97 |
C37—H37B | 0.96 | ||
C—Rh—P1 | 90.40 (18) | C33—C37—H37C | 109.5 |
C—Rh—P2 | 92.62 (18) | H37A—C37—H37C | 109.5 |
P1—Rh—P2 | 176.88 (6) | H37B—C37—H37C | 109.5 |
C—Rh—Cl1 | 174.6 (2) | C42—C41—C46 | 118.9 (5) |
P1—Rh—Cl1 | 88.98 (5) | C42—C41—P2 | 123.4 (4) |
P2—Rh—Cl1 | 88.08 (5) | C46—C41—P2 | 117.7 (4) |
C21—P1—C31 | 104.6 (3) | C41—C42—C43 | 121.4 (5) |
C21—P1—C11 | 104.8 (2) | C41—C42—H42 | 119.3 |
C31—P1—C11 | 103.7 (3) | C43—C42—H42 | 119.3 |
C21—P1—Rh | 113.12 (19) | C44—C43—C42 | 118.8 (6) |
C31—P1—Rh | 114.15 (18) | C44—C43—C47 | 121.3 (5) |
C11—P1—Rh | 115.27 (18) | C42—C43—C47 | 119.9 (5) |
C61—P2—C51 | 105.2 (2) | C43—C44—C45 | 120.4 (5) |
C61—P2—C41 | 101.2 (2) | C43—C44—H44 | 119.8 |
C51—P2—C41 | 104.5 (3) | C45—C44—H44 | 119.8 |
C61—P2—Rh | 117.1 (2) | C46—C45—C44 | 120.1 (6) |
C51—P2—Rh | 109.98 (17) | C46—C45—H45 | 119.9 |
C41—P2—Rh | 117.47 (18) | C44—C45—H45 | 119.9 |
O—C—Rh | 176.3 (6) | C45—C46—C41 | 120.4 (6) |
C12—C11—C16 | 117.7 (5) | C45—C46—H46 | 119.8 |
C12—C11—P1 | 121.1 (4) | C41—C46—H46 | 119.8 |
C16—C11—P1 | 120.9 (4) | C43—C47—H47A | 109.5 |
C13—C12—C11 | 123.0 (6) | C43—C47—H47B | 109.5 |
C13—C12—H12 | 118.5 | H47A—C47—H47B | 109.5 |
C11—C12—H12 | 118.5 | C43—C47—H47C | 109.5 |
C14—C13—C12 | 117.4 (6) | H47A—C47—H47C | 109.5 |
C14—C13—C17 | 120.9 (6) | H47B—C47—H47C | 109.5 |
C12—C13—C17 | 121.7 (6) | C52—C51—C56 | 118.7 (5) |
C13—C14—C15 | 121.7 (6) | C52—C51—P2 | 124.0 (4) |
C13—C14—H14 | 119.2 | C56—C51—P2 | 117.2 (4) |
C15—C14—H14 | 119.2 | C51—C52—C53 | 121.9 (6) |
C14—C15—C16 | 119.8 (6) | C51—C52—H52 | 119.1 |
C14—C15—H15 | 120.1 | C53—C52—H52 | 119.1 |
C16—C15—H15 | 120.1 | C54—C53—C52 | 118.5 (6) |
C15—C16—C11 | 120.3 (6) | C54—C53—C57 | 121.5 (6) |
C15—C16—H16 | 119.8 | C52—C53—C57 | 120.0 (6) |
C11—C16—H16 | 119.8 | C55—C54—C53 | 120.8 (6) |
C13—C17—H17A | 109.5 | C55—C54—H54 | 119.6 |
C13—C17—H17B | 109.5 | C53—C54—H54 | 119.6 |
H17A—C17—H17B | 109.5 | C54—C55—C56 | 120.7 (6) |
C13—C17—H17C | 109.5 | C54—C55—H55 | 119.6 |
H17A—C17—H17C | 109.5 | C56—C55—H55 | 119.6 |
H17B—C17—H17C | 109.5 | C55—C56—C51 | 119.3 (6) |
C22—C21—C26 | 118.3 (6) | C55—C56—H56 | 120.3 |
C22—C21—P1 | 123.8 (5) | C51—C56—H56 | 120.3 |
C26—C21—P1 | 117.8 (5) | C53—C57—H57A | 109.5 |
C21—C22—C23 | 122.2 (7) | C53—C57—H57B | 109.5 |
C21—C22—H22 | 118.9 | H57A—C57—H57B | 109.5 |
C23—C22—H22 | 118.9 | C53—C57—H57C | 109.5 |
C24—C23—C22 | 117.5 (7) | H57A—C57—H57C | 109.5 |
C24—C23—C27 | 121.9 (7) | H57B—C57—H57C | 109.5 |
C22—C23—C27 | 120.6 (8) | C62—C61—C66 | 118.8 (5) |
C23—C24—C25 | 122.7 (7) | C62—C61—P2 | 121.3 (4) |
C23—C24—H24 | 118.6 | C66—C61—P2 | 119.9 (5) |
C25—C24—H24 | 118.6 | C61—C62—C63 | 122.2 (6) |
C24—C25—C26 | 119.3 (8) | C61—C62—H62 | 118.9 |
C24—C25—H25 | 120.4 | C63—C62—H62 | 118.9 |
C26—C25—H25 | 120.4 | C64—C63—C62 | 117.4 (6) |
C25—C26—C21 | 120.0 (7) | C64—C63—C67 | 121.2 (6) |
C25—C26—H26 | 120 | C62—C63—C67 | 121.4 (6) |
C21—C26—H26 | 120 | C65—C64—C63 | 121.7 (6) |
C23—C27—H27A | 109.5 | C65—C64—H64 | 119.1 |
C23—C27—H27B | 109.5 | C63—C64—H64 | 119.1 |
H27A—C27—H27B | 109.5 | C64—C65—C66 | 120.5 (6) |
C23—C27—H27C | 109.5 | C64—C65—H65 | 119.8 |
H27A—C27—H27C | 109.5 | C66—C65—H65 | 119.8 |
H27B—C27—H27C | 109.5 | C65—C66—C61 | 119.3 (6) |
C32—C31—C36 | 118.3 (6) | C65—C66—H66 | 120.3 |
C32—C31—P1 | 119.0 (4) | C61—C66—H66 | 120.3 |
C36—C31—P1 | 122.7 (5) | C63—C67—H67A | 109.5 |
C33—C32—C31 | 121.9 (5) | C63—C67—H67B | 109.5 |
C33—C32—H32 | 119.1 | H67A—C67—H67B | 109.5 |
C31—C32—H32 | 119.1 | C63—C67—H67C | 109.5 |
C32—C33—C34 | 118.9 (6) | H67A—C67—H67C | 109.5 |
C32—C33—C37 | 120.4 (6) | H67B—C67—H67C | 109.5 |
C34—C33—C37 | 120.7 (6) | Cl2A—C1A—Cl3A | 112.5 (12) |
C35—C34—C33 | 120.2 (6) | Cl2A—C1A—H1A1 | 109.1 |
C35—C34—H34 | 119.9 | Cl3A—C1A—H1A1 | 109.1 |
C33—C34—H34 | 119.9 | Cl2A—C1A—H1A2 | 109.1 |
C34—C35—C36 | 121.0 (6) | Cl3A—C1A—H1A2 | 109.1 |
C34—C35—H35 | 119.5 | H1A1—C1A—H1A2 | 107.8 |
C36—C35—H35 | 119.5 | Cl2B—C1B—Cl3B | 108.8 (11) |
C35—C36—C31 | 119.7 (6) | Cl2B—C1B—H1B1 | 109.9 |
C35—C36—H36 | 120.1 | Cl3B—C1B—H1B1 | 109.9 |
C31—C36—H36 | 120.1 | Cl2B—C1B—H1B2 | 109.9 |
C33—C37—H37A | 109.5 | Cl3B—C1B—H1B2 | 109.9 |
C33—C37—H37B | 109.5 | H1B1—C1B—H1B2 | 108.3 |
H37A—C37—H37B | 109.5 | ||
C11—P2—Rh—C | −6.3 (3) | C41—P2—Rh—C | 0.6 (3) |
C21—P2—Rh—C | −132.7 (3) | C51—P2—Rh—C | −118.8 (3) |
C31—P2—Rh—C | 117.1 (3) | C61—P2—Rh—C | 121.3 (3) |
D—H···A | D—H | H···A | D···A | D—H···A |
C32—H32···Cl1 | 0.93 | 2.81 | 3.543 (6) | 137 |
C67—H67C···Cl2A | 0.96 | 2.75 | 3.505 (10) | 137 |
C67—H67C···Cl2B | 0.96 | 2.69 | 3.547 (9) | 149 |