Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536802022158/cf6228sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536802022158/cf6228Isup2.hkl |
CCDC reference: 202967
Data collection: COLLECT (Nonius, 1998); cell refinement: HKL SCALEPACK (Otwinowski & Minor, 1997); data reduction: HKL DENZO (Otwinowski & Minor, 1997) and SCALEPACK; program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: SHELXTL (Bruker, 2001); molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.
[Rh(C8H12)(C20H16N2)](CF3SO3)·2C4H10O | Dx = 1.402 Mg m−3 |
Mr = 792.74 | Mo Kα radiation, λ = 0.71073 Å |
Orthorhombic, P212121 | Cell parameters from 14723 reflections |
a = 10.7729 (2) Å | θ = 1.0–25.0° |
b = 18.0442 (4) Å | µ = 0.57 mm−1 |
c = 19.3180 (5) Å | T = 180 K |
V = 3755.19 (15) Å3 | Block, yellow |
Z = 4 | 0.18 × 0.12 × 0.07 mm |
F(000) = 1648 |
Nonius KappaCCD diffractometer | 5644 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.049 |
Thin–slice ω and φ scans | θmax = 25.0°, θmin = 3.6° |
Absorption correction: multi-scan (SORTAV; Blessing, 1995) | h = −12→12 |
Tmin = 0.915, Tmax = 0.955 | k = −20→21 |
21982 measured reflections | l = −22→22 |
6615 independent reflections |
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)] = 0.038 | H-atom parameters constrained |
wR(F2) = 0.083 | w = 1/[σ2(Fo2) + (0.0321P)2 + 2.0203P] where P = (Fo2 + 2Fc2)/3 |
S = 1.02 | (Δ/σ)max = 0.029 |
6615 reflections | Δρmax = 0.37 e Å−3 |
447 parameters | Δρmin = −0.57 e Å−3 |
4 restraints | Absolute structure: Flack (1983); 2872 Friedel pairs |
Primary atom site location: structure-invariant direct methods | Absolute structure parameter: −0.03 (3) |
Experimental. The diethyl ether solvent molecules are not well resolved. The C—C distances in these moieties were restrained with the SHELXL DFIX instruction: final ls distance: 1.44 (2) Angstrom. |
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 | ||
Rh1 | 0.74028 (2) | 0.157887 (15) | 0.201350 (15) | 0.02779 (9) | |
N1 | 0.5980 (3) | 0.22107 (19) | 0.25164 (18) | 0.0263 (8) | |
H1A | 0.6120 | 0.2709 | 0.2449 | 0.032* | |
H1B | 0.5219 | 0.2094 | 0.2330 | 0.032* | |
N2 | 0.8730 (3) | 0.20692 (18) | 0.27095 (18) | 0.0267 (8) | |
H2A | 0.8765 | 0.1779 | 0.3100 | 0.032* | |
H2B | 0.9498 | 0.2046 | 0.2502 | 0.032* | |
C1 | 0.5983 (3) | 0.2048 (2) | 0.3242 (2) | 0.0256 (9) | |
C2 | 0.5157 (3) | 0.1497 (2) | 0.3504 (2) | 0.0301 (9) | |
H2 | 0.4596 | 0.1257 | 0.3198 | 0.036* | |
C3 | 0.5163 (3) | 0.1314 (2) | 0.4183 (2) | 0.0314 (10) | |
H3 | 0.4577 | 0.0964 | 0.4350 | 0.038* | |
C4 | 0.6025 (3) | 0.1636 (2) | 0.4652 (2) | 0.0296 (9) | |
C5 | 0.6054 (4) | 0.1440 (2) | 0.5362 (2) | 0.0393 (11) | |
H5 | 0.5463 | 0.1099 | 0.5541 | 0.047* | |
C6 | 0.6922 (4) | 0.1739 (2) | 0.5790 (2) | 0.0462 (12) | |
H6 | 0.6936 | 0.1603 | 0.6265 | 0.055* | |
C7 | 0.7797 (4) | 0.2246 (2) | 0.5536 (2) | 0.0444 (12) | |
H7 | 0.8409 | 0.2442 | 0.5840 | 0.053* | |
C8 | 0.7781 (4) | 0.2464 (2) | 0.4855 (2) | 0.0356 (10) | |
H8 | 0.8374 | 0.2814 | 0.4693 | 0.043* | |
C9 | 0.6878 (3) | 0.2168 (2) | 0.4389 (2) | 0.0282 (9) | |
C10 | 0.6818 (3) | 0.2391 (2) | 0.3685 (2) | 0.0268 (9) | |
C11 | 0.7623 (4) | 0.29890 (18) | 0.33977 (18) | 0.0251 (8) | |
C12 | 0.7394 (4) | 0.37516 (18) | 0.35806 (18) | 0.0269 (8) | |
C13 | 0.6449 (4) | 0.3966 (2) | 0.4039 (2) | 0.0346 (10) | |
H13 | 0.5939 | 0.3598 | 0.4246 | 0.042* | |
C14 | 0.6249 (4) | 0.4696 (2) | 0.4195 (2) | 0.0400 (11) | |
H14 | 0.5600 | 0.4829 | 0.4504 | 0.048* | |
C15 | 0.6999 (4) | 0.5248 (2) | 0.3899 (3) | 0.0448 (12) | |
H15 | 0.6865 | 0.5752 | 0.4018 | 0.054* | |
C16 | 0.7908 (4) | 0.5070 (2) | 0.3447 (3) | 0.0415 (12) | |
H16 | 0.8396 | 0.5451 | 0.3244 | 0.050* | |
C17 | 0.8140 (4) | 0.4309 (2) | 0.3272 (2) | 0.0332 (10) | |
C18 | 0.9078 (3) | 0.4110 (2) | 0.2797 (2) | 0.0365 (11) | |
H18 | 0.9577 | 0.4485 | 0.2593 | 0.044* | |
C19 | 0.9274 (3) | 0.3389 (2) | 0.2629 (2) | 0.0339 (9) | |
H19 | 0.9912 | 0.3262 | 0.2311 | 0.041* | |
C20 | 0.8530 (3) | 0.2824 (2) | 0.2927 (2) | 0.0283 (9) | |
C21 | 0.8824 (4) | 0.1217 (3) | 0.1316 (3) | 0.0470 (14) | |
H21 | 0.9250 | 0.1665 | 0.1418 | 0.056* | |
C22 | 0.8687 (4) | 0.0710 (3) | 0.1842 (3) | 0.0409 (12) | |
H22 | 0.9049 | 0.0827 | 0.2277 | 0.049* | |
C23 | 0.8001 (4) | −0.0026 (2) | 0.1781 (3) | 0.0504 (14) | |
H23A | 0.8515 | −0.0375 | 0.1508 | 0.060* | |
H23B | 0.7894 | −0.0239 | 0.2250 | 0.060* | |
C24 | 0.6740 (4) | 0.0044 (3) | 0.1441 (3) | 0.0621 (16) | |
H24A | 0.6190 | −0.0353 | 0.1618 | 0.075* | |
H24B | 0.6832 | −0.0026 | 0.0936 | 0.075* | |
C25 | 0.6131 (4) | 0.0799 (3) | 0.1578 (3) | 0.0422 (13) | |
H25 | 0.5648 | 0.0862 | 0.1985 | 0.051* | |
C26 | 0.6259 (4) | 0.1378 (3) | 0.1138 (3) | 0.0470 (13) | |
H26 | 0.5831 | 0.1822 | 0.1254 | 0.056* | |
C27 | 0.7022 (5) | 0.1388 (4) | 0.0475 (3) | 0.0694 (18) | |
H27A | 0.7047 | 0.1900 | 0.0292 | 0.083* | |
H27B | 0.6611 | 0.1071 | 0.0125 | 0.083* | |
C28 | 0.8344 (4) | 0.1114 (3) | 0.0585 (3) | 0.0596 (16) | |
H28A | 0.8381 | 0.0581 | 0.0466 | 0.072* | |
H28B | 0.8900 | 0.1381 | 0.0262 | 0.072* | |
C29 | 0.2291 (5) | 0.2652 (3) | 0.1255 (3) | 0.0519 (12) | |
S1 | 0.24695 (9) | 0.22864 (5) | 0.21199 (5) | 0.0361 (2) | |
O1 | 0.2687 (4) | 0.29281 (18) | 0.25334 (18) | 0.0686 (10) | |
O2 | 0.1303 (2) | 0.19173 (19) | 0.22331 (18) | 0.0495 (10) | |
O3 | 0.3507 (2) | 0.17899 (17) | 0.20498 (19) | 0.0456 (8) | |
F1 | 0.3307 (3) | 0.2979 (2) | 0.1032 (2) | 0.0922 (12) | |
F2 | 0.1367 (3) | 0.31403 (19) | 0.1219 (2) | 0.0886 (12) | |
F3 | 0.2025 (3) | 0.21188 (18) | 0.08006 (15) | 0.0808 (10) | |
O5 | 0.6558 (4) | 0.3612 (2) | 0.1582 (3) | 0.0918 (14) | |
C35 | 0.8273 (8) | 0.3573 (7) | 0.0773 (5) | 0.161 (4) | |
H35A | 0.8531 | 0.3266 | 0.0381 | 0.241* | |
H35B | 0.8794 | 0.3461 | 0.1175 | 0.241* | |
H35C | 0.8362 | 0.4098 | 0.0652 | 0.241* | |
C36 | 0.7099 (8) | 0.3432 (8) | 0.0924 (6) | 0.198 (6) | |
H36A | 0.6978 | 0.2893 | 0.0855 | 0.237* | |
H36B | 0.6591 | 0.3685 | 0.0568 | 0.237* | |
C37 | 0.5753 (7) | 0.4193 (4) | 0.1509 (4) | 0.094 (2) | |
H37A | 0.5141 | 0.4074 | 0.1143 | 0.113* | |
H37B | 0.6221 | 0.4638 | 0.1359 | 0.113* | |
C38 | 0.5095 (6) | 0.4358 (4) | 0.2152 (4) | 0.088 (2) | |
H38A | 0.4493 | 0.4756 | 0.2070 | 0.132* | |
H38B | 0.5692 | 0.4517 | 0.2505 | 0.132* | |
H38C | 0.4659 | 0.3914 | 0.2312 | 0.132* | |
O4 | 0.9436 (3) | 0.09958 (17) | 0.37244 (17) | 0.0471 (8) | |
C31 | 1.1670 (5) | 0.0861 (4) | 0.3852 (4) | 0.0793 (19) | |
H31A | 1.2413 | 0.1129 | 0.4003 | 0.119* | |
H31B | 1.1740 | 0.0744 | 0.3358 | 0.119* | |
H31C | 1.1592 | 0.0401 | 0.4118 | 0.119* | |
C32 | 1.0553 (4) | 0.1331 (3) | 0.3970 (3) | 0.0596 (15) | |
H32A | 1.0469 | 0.1431 | 0.4472 | 0.072* | |
H32B | 1.0670 | 0.1813 | 0.3733 | 0.072* | |
C33 | 0.8885 (4) | 0.0489 (3) | 0.4188 (3) | 0.0542 (14) | |
H33A | 0.8567 | 0.0755 | 0.4599 | 0.065* | |
H33B | 0.9511 | 0.0124 | 0.4345 | 0.065* | |
C34 | 0.7849 (4) | 0.0100 (3) | 0.3833 (3) | 0.0572 (14) | |
H34A | 0.7388 | −0.0199 | 0.4170 | 0.086* | |
H34B | 0.8184 | −0.0224 | 0.3471 | 0.086* | |
H34C | 0.7291 | 0.0466 | 0.3624 | 0.086* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Rh1 | 0.02232 (13) | 0.03253 (15) | 0.02852 (16) | 0.00234 (15) | −0.00116 (14) | −0.00350 (14) |
N1 | 0.0235 (16) | 0.0314 (19) | 0.024 (2) | −0.0001 (14) | −0.0066 (14) | 0.0015 (16) |
N2 | 0.0213 (15) | 0.0301 (19) | 0.029 (2) | 0.0026 (14) | 0.0018 (13) | −0.0009 (15) |
C1 | 0.0215 (18) | 0.028 (2) | 0.027 (2) | 0.0052 (16) | −0.0029 (16) | −0.0004 (17) |
C2 | 0.0236 (18) | 0.026 (2) | 0.041 (3) | −0.0036 (17) | −0.0024 (16) | 0.000 (2) |
C3 | 0.026 (2) | 0.032 (2) | 0.037 (3) | −0.0015 (17) | 0.0037 (18) | 0.005 (2) |
C4 | 0.0321 (19) | 0.026 (2) | 0.030 (2) | 0.0004 (19) | 0.0013 (16) | 0.0025 (19) |
C5 | 0.052 (3) | 0.032 (2) | 0.034 (3) | −0.002 (2) | 0.002 (2) | 0.006 (2) |
C6 | 0.071 (3) | 0.035 (3) | 0.032 (3) | −0.005 (2) | −0.011 (2) | 0.006 (2) |
C7 | 0.060 (3) | 0.036 (2) | 0.037 (3) | −0.005 (2) | −0.016 (2) | −0.001 (2) |
C8 | 0.037 (2) | 0.029 (2) | 0.041 (3) | −0.0025 (18) | −0.0072 (19) | 0.0005 (18) |
C9 | 0.030 (2) | 0.024 (2) | 0.030 (3) | 0.0026 (16) | −0.0005 (18) | 0.0023 (18) |
C10 | 0.0232 (18) | 0.026 (2) | 0.031 (3) | 0.0022 (15) | −0.0006 (17) | −0.0029 (18) |
C11 | 0.0198 (18) | 0.0281 (18) | 0.028 (2) | −0.0050 (18) | 0.0004 (19) | −0.0006 (15) |
C12 | 0.0260 (19) | 0.0262 (17) | 0.028 (2) | −0.0027 (18) | −0.007 (2) | 0.0002 (15) |
C13 | 0.036 (2) | 0.032 (2) | 0.036 (3) | 0.0000 (18) | 0.0017 (19) | 0.0006 (19) |
C14 | 0.046 (3) | 0.037 (3) | 0.037 (3) | 0.008 (2) | 0.003 (2) | −0.004 (2) |
C15 | 0.054 (3) | 0.026 (2) | 0.054 (3) | 0.004 (2) | −0.001 (2) | −0.007 (2) |
C16 | 0.046 (3) | 0.022 (2) | 0.056 (3) | −0.0029 (19) | −0.003 (2) | 0.004 (2) |
C17 | 0.030 (2) | 0.033 (2) | 0.037 (3) | −0.0048 (18) | −0.0060 (18) | 0.0010 (19) |
C18 | 0.029 (2) | 0.034 (2) | 0.046 (3) | −0.0077 (18) | 0.0001 (19) | 0.004 (2) |
C19 | 0.0249 (18) | 0.038 (2) | 0.039 (3) | −0.003 (2) | 0.0050 (16) | 0.001 (2) |
C20 | 0.0237 (17) | 0.028 (2) | 0.033 (2) | −0.0024 (15) | −0.0013 (19) | −0.0015 (19) |
C21 | 0.035 (2) | 0.062 (3) | 0.044 (3) | 0.004 (2) | 0.005 (2) | −0.022 (3) |
C22 | 0.034 (2) | 0.046 (3) | 0.043 (3) | 0.005 (2) | −0.006 (2) | −0.013 (2) |
C23 | 0.046 (3) | 0.039 (3) | 0.066 (4) | 0.008 (2) | −0.006 (2) | −0.019 (2) |
C24 | 0.045 (3) | 0.054 (3) | 0.087 (5) | 0.002 (2) | −0.015 (3) | −0.016 (3) |
C25 | 0.031 (2) | 0.048 (3) | 0.048 (3) | 0.000 (2) | −0.004 (2) | −0.017 (3) |
C26 | 0.034 (2) | 0.067 (4) | 0.040 (3) | 0.007 (2) | −0.004 (2) | −0.012 (3) |
C27 | 0.064 (3) | 0.111 (5) | 0.034 (3) | 0.008 (3) | 0.003 (2) | −0.012 (3) |
C28 | 0.046 (3) | 0.092 (4) | 0.041 (3) | 0.001 (3) | 0.007 (2) | −0.014 (3) |
C29 | 0.056 (3) | 0.054 (3) | 0.046 (3) | 0.005 (3) | 0.006 (3) | 0.006 (2) |
S1 | 0.0278 (5) | 0.0446 (5) | 0.0358 (6) | −0.0001 (5) | 0.0030 (6) | −0.0050 (4) |
O1 | 0.081 (3) | 0.070 (2) | 0.055 (2) | −0.009 (2) | 0.011 (2) | −0.0320 (18) |
O2 | 0.0211 (13) | 0.062 (2) | 0.066 (3) | 0.0000 (13) | 0.0083 (14) | 0.0127 (17) |
O3 | 0.0221 (12) | 0.065 (2) | 0.050 (2) | 0.0091 (12) | −0.0064 (15) | −0.0099 (18) |
F1 | 0.086 (2) | 0.113 (3) | 0.078 (3) | −0.026 (2) | 0.032 (2) | 0.028 (2) |
F2 | 0.111 (3) | 0.083 (2) | 0.071 (3) | 0.050 (2) | 0.017 (2) | 0.030 (2) |
F3 | 0.118 (3) | 0.083 (2) | 0.0415 (18) | 0.0130 (19) | −0.0223 (18) | −0.0080 (17) |
O5 | 0.088 (3) | 0.086 (3) | 0.101 (4) | 0.016 (3) | −0.016 (3) | −0.025 (3) |
C35 | 0.124 (7) | 0.263 (13) | 0.094 (7) | −0.045 (9) | −0.010 (6) | −0.026 (8) |
C36 | 0.120 (7) | 0.299 (14) | 0.174 (10) | −0.067 (9) | 0.068 (7) | −0.173 (11) |
C37 | 0.095 (5) | 0.065 (4) | 0.121 (7) | −0.003 (4) | 0.005 (5) | 0.017 (4) |
C38 | 0.090 (4) | 0.084 (4) | 0.090 (6) | 0.020 (4) | −0.014 (4) | −0.003 (4) |
O4 | 0.0373 (16) | 0.055 (2) | 0.049 (2) | −0.0047 (15) | −0.0121 (15) | 0.0189 (17) |
C31 | 0.044 (3) | 0.102 (5) | 0.092 (5) | 0.004 (3) | −0.008 (3) | 0.011 (4) |
C32 | 0.048 (3) | 0.071 (4) | 0.060 (4) | −0.007 (3) | −0.020 (3) | 0.007 (3) |
C33 | 0.045 (3) | 0.062 (3) | 0.055 (4) | 0.004 (2) | −0.004 (2) | 0.022 (3) |
C34 | 0.050 (3) | 0.055 (3) | 0.067 (4) | −0.005 (2) | 0.002 (3) | 0.016 (3) |
Rh1—C22 | 2.117 (4) | C22—H22 | 0.950 |
Rh1—C26 | 2.124 (5) | C23—C24 | 1.514 (6) |
Rh1—C25 | 2.136 (4) | C23—H23A | 0.990 |
Rh1—C21 | 2.141 (4) | C23—H23B | 0.990 |
Rh1—N1 | 2.143 (3) | C24—C25 | 1.534 (6) |
Rh1—N2 | 2.153 (3) | C24—H24A | 0.990 |
N1—C1 | 1.432 (5) | C24—H24B | 0.990 |
N1—H1A | 0.920 | C25—C26 | 1.355 (7) |
N1—H1B | 0.920 | C25—H25 | 0.950 |
N2—C20 | 1.441 (5) | C26—C27 | 1.521 (7) |
N2—H2A | 0.920 | C26—H26 | 0.950 |
N2—H2B | 0.920 | C27—C28 | 1.522 (7) |
C1—C10 | 1.387 (5) | C27—H27A | 0.990 |
C1—C2 | 1.427 (5) | C27—H27B | 0.990 |
C2—C3 | 1.352 (5) | C28—H28A | 0.990 |
C2—H2 | 0.950 | C28—H28B | 0.990 |
C3—C4 | 1.421 (5) | C29—F1 | 1.317 (6) |
C3—H3 | 0.950 | C29—F2 | 1.331 (5) |
C4—C5 | 1.418 (6) | C29—F3 | 1.334 (5) |
C4—C9 | 1.423 (5) | C29—S1 | 1.806 (5) |
C5—C6 | 1.359 (6) | S1—O1 | 1.426 (3) |
C5—H5 | 0.950 | S1—O3 | 1.439 (3) |
C6—C7 | 1.402 (6) | S1—O2 | 1.439 (3) |
C6—H6 | 0.950 | O5—C37 | 1.369 (7) |
C7—C8 | 1.374 (6) | O5—C36 | 1.435 (9) |
C7—H7 | 0.950 | C35—C36 | 1.322 (9) |
C8—C9 | 1.429 (5) | C35—H35A | 0.980 |
C8—H8 | 0.950 | C35—H35B | 0.980 |
C9—C10 | 1.421 (6) | C35—H35C | 0.980 |
C10—C11 | 1.491 (5) | C36—H36A | 0.990 |
C11—C20 | 1.368 (5) | C36—H36B | 0.990 |
C11—C12 | 1.442 (5) | C37—C38 | 1.462 (8) |
C12—C13 | 1.405 (6) | C37—H37A | 0.990 |
C12—C17 | 1.419 (5) | C37—H37B | 0.990 |
C13—C14 | 1.367 (6) | C38—H38A | 0.980 |
C13—H13 | 0.950 | C38—H38B | 0.980 |
C14—C15 | 1.404 (6) | C38—H38C | 0.980 |
C14—H14 | 0.950 | O4—C33 | 1.412 (5) |
C15—C16 | 1.350 (6) | O4—C32 | 1.428 (5) |
C15—H15 | 0.950 | C31—C32 | 1.490 (7) |
C16—C17 | 1.436 (6) | C31—H31A | 0.980 |
C16—H16 | 0.950 | C31—H31B | 0.980 |
C17—C18 | 1.410 (6) | C31—H31C | 0.980 |
C18—C19 | 1.358 (6) | C32—H32A | 0.990 |
C18—H18 | 0.950 | C32—H32B | 0.990 |
C19—C20 | 1.418 (5) | C33—C34 | 1.487 (6) |
C19—H19 | 0.950 | C33—H33A | 0.990 |
C21—C22 | 1.376 (7) | C33—H33B | 0.990 |
C21—C28 | 1.515 (7) | C34—H34A | 0.980 |
C21—H21 | 0.950 | C34—H34B | 0.980 |
C22—C23 | 1.524 (6) | C34—H34C | 0.980 |
C22—Rh1—C26 | 97.38 (18) | C24—C23—C22 | 113.3 (4) |
C22—Rh1—C25 | 82.52 (15) | C24—C23—H23A | 108.9 |
C26—Rh1—C25 | 37.08 (18) | C22—C23—H23A | 108.9 |
C22—Rh1—C21 | 37.70 (18) | C24—C23—H23B | 108.9 |
C26—Rh1—C21 | 82.04 (17) | C22—C23—H23B | 108.9 |
C25—Rh1—C21 | 90.57 (19) | H23A—C23—H23B | 107.7 |
C22—Rh1—N1 | 158.79 (17) | C23—C24—C25 | 112.5 (4) |
C26—Rh1—N1 | 92.12 (15) | C23—C24—H24A | 109.1 |
C25—Rh1—N1 | 94.03 (15) | C25—C24—H24A | 109.1 |
C21—Rh1—N1 | 163.46 (18) | C23—C24—H24B | 109.1 |
C22—Rh1—N2 | 88.16 (15) | C25—C24—H24B | 109.1 |
C26—Rh1—N2 | 162.31 (18) | H24A—C24—H24B | 107.8 |
C25—Rh1—N2 | 160.47 (17) | C26—C25—C24 | 122.2 (5) |
C21—Rh1—N2 | 92.48 (16) | C26—C25—Rh1 | 71.0 (3) |
N1—Rh1—N2 | 88.47 (11) | C24—C25—Rh1 | 112.2 (3) |
C1—N1—Rh1 | 109.4 (2) | C26—C25—H25 | 118.9 |
C1—N1—H1A | 109.8 | C24—C25—H25 | 118.9 |
Rh1—N1—H1A | 109.8 | Rh1—C25—H25 | 86.9 |
C1—N1—H1B | 109.8 | C25—C26—C27 | 126.3 (5) |
Rh1—N1—H1B | 109.8 | C25—C26—Rh1 | 72.0 (3) |
H1A—N1—H1B | 108.2 | C27—C26—Rh1 | 110.8 (3) |
C20—N2—Rh1 | 118.1 (2) | C25—C26—H26 | 116.8 |
C20—N2—H2A | 107.8 | C27—C26—H26 | 116.8 |
Rh1—N2—H2A | 107.8 | Rh1—C26—H26 | 87.1 |
C20—N2—H2B | 107.8 | C26—C27—C28 | 112.6 (5) |
Rh1—N2—H2B | 107.8 | C26—C27—H27A | 109.1 |
H2A—N2—H2B | 107.1 | C28—C27—H27A | 109.1 |
C10—C1—C2 | 119.8 (4) | C26—C27—H27B | 109.1 |
C10—C1—N1 | 120.9 (4) | C28—C27—H27B | 109.1 |
C2—C1—N1 | 119.2 (3) | H27A—C27—H27B | 107.8 |
C3—C2—C1 | 120.7 (4) | C21—C28—C27 | 114.2 (5) |
C3—C2—H2 | 119.6 | C21—C28—H28A | 108.7 |
C1—C2—H2 | 119.6 | C27—C28—H28A | 108.7 |
C2—C3—C4 | 121.4 (4) | C21—C28—H28B | 108.7 |
C2—C3—H3 | 119.3 | C27—C28—H28B | 108.7 |
C4—C3—H3 | 119.3 | H28A—C28—H28B | 107.6 |
C5—C4—C3 | 122.0 (4) | F1—C29—F2 | 107.9 (4) |
C5—C4—C9 | 119.9 (4) | F1—C29—F3 | 106.6 (4) |
C3—C4—C9 | 118.1 (4) | F2—C29—F3 | 106.4 (4) |
C6—C5—C4 | 120.3 (4) | F1—C29—S1 | 112.2 (4) |
C6—C5—H5 | 119.9 | F2—C29—S1 | 111.7 (4) |
C4—C5—H5 | 119.9 | F3—C29—S1 | 111.6 (3) |
C5—C6—C7 | 120.6 (4) | O1—S1—O3 | 115.5 (2) |
C5—C6—H6 | 119.7 | O1—S1—O2 | 115.7 (2) |
C7—C6—H6 | 119.7 | O3—S1—O2 | 113.87 (17) |
C8—C7—C6 | 120.9 (4) | O1—S1—C29 | 103.8 (2) |
C8—C7—H7 | 119.6 | O3—S1—C29 | 102.9 (2) |
C6—C7—H7 | 119.6 | O2—S1—C29 | 102.5 (2) |
C7—C8—C9 | 120.3 (4) | C37—O5—C36 | 109.8 (8) |
C7—C8—H8 | 119.9 | C36—C35—H35A | 109.5 |
C9—C8—H8 | 119.9 | C36—C35—H35B | 109.5 |
C10—C9—C4 | 120.2 (4) | H35A—C35—H35B | 109.5 |
C10—C9—C8 | 121.9 (4) | C36—C35—H35C | 109.5 |
C4—C9—C8 | 117.9 (4) | H35A—C35—H35C | 109.5 |
C1—C10—C9 | 119.6 (3) | H35B—C35—H35C | 109.5 |
C1—C10—C11 | 118.1 (4) | C35—C36—O5 | 122.7 (9) |
C9—C10—C11 | 122.3 (3) | C35—C36—H36A | 106.7 |
C20—C11—C12 | 119.6 (3) | O5—C36—H36A | 106.7 |
C20—C11—C10 | 120.3 (3) | C35—C36—H36B | 106.7 |
C12—C11—C10 | 120.0 (3) | O5—C36—H36B | 106.7 |
C13—C12—C17 | 118.7 (3) | H36A—C36—H36B | 106.6 |
C13—C12—C11 | 122.8 (3) | O5—C37—C38 | 112.1 (6) |
C17—C12—C11 | 118.5 (4) | O5—C37—H37A | 109.2 |
C14—C13—C12 | 121.2 (4) | C38—C37—H37A | 109.2 |
C14—C13—H13 | 119.4 | O5—C37—H37B | 109.2 |
C12—C13—H13 | 119.4 | C38—C37—H37B | 109.2 |
C13—C14—C15 | 120.2 (4) | H37A—C37—H37B | 107.9 |
C13—C14—H14 | 119.9 | C37—C38—H38A | 109.5 |
C15—C14—H14 | 119.9 | C37—C38—H38B | 109.5 |
C16—C15—C14 | 120.8 (4) | H38A—C38—H38B | 109.5 |
C16—C15—H15 | 119.6 | C37—C38—H38C | 109.5 |
C14—C15—H15 | 119.6 | H38A—C38—H38C | 109.5 |
C15—C16—C17 | 120.4 (4) | H38B—C38—H38C | 109.5 |
C15—C16—H16 | 119.8 | C33—O4—C32 | 114.7 (4) |
C17—C16—H16 | 119.8 | C32—C31—H31A | 109.5 |
C18—C17—C12 | 119.9 (4) | C32—C31—H31B | 109.5 |
C18—C17—C16 | 121.5 (4) | H31A—C31—H31B | 109.5 |
C12—C17—C16 | 118.7 (4) | C32—C31—H31C | 109.5 |
C19—C18—C17 | 120.7 (4) | H31A—C31—H31C | 109.5 |
C19—C18—H18 | 119.6 | H31B—C31—H31C | 109.5 |
C17—C18—H18 | 119.6 | O4—C32—C31 | 112.8 (4) |
C18—C19—C20 | 120.3 (4) | O4—C32—H32A | 109.0 |
C18—C19—H19 | 119.8 | C31—C32—H32A | 109.0 |
C20—C19—H19 | 119.8 | O4—C32—H32B | 109.0 |
C11—C20—C19 | 121.1 (3) | C31—C32—H32B | 109.0 |
C11—C20—N2 | 120.5 (3) | H32A—C32—H32B | 107.8 |
C19—C20—N2 | 118.5 (3) | O4—C33—C34 | 109.2 (4) |
C22—C21—C28 | 124.8 (5) | O4—C33—H33A | 109.8 |
C22—C21—Rh1 | 70.2 (3) | C34—C33—H33A | 109.8 |
C28—C21—Rh1 | 112.3 (3) | O4—C33—H33B | 109.8 |
C22—C21—H21 | 117.6 | C34—C33—H33B | 109.8 |
C28—C21—H21 | 117.6 | H33A—C33—H33B | 108.3 |
Rh1—C21—H21 | 87.5 | C33—C34—H34A | 109.5 |
C21—C22—C23 | 125.1 (5) | C33—C34—H34B | 109.5 |
C21—C22—Rh1 | 72.1 (3) | H34A—C34—H34B | 109.5 |
C23—C22—Rh1 | 109.9 (3) | C33—C34—H34C | 109.5 |
C21—C22—H22 | 117.5 | H34A—C34—H34C | 109.5 |
C23—C22—H22 | 117.5 | H34B—C34—H34C | 109.5 |
Rh1—C22—H22 | 88.0 |