Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270101001536/fg1606sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S0108270101001536/fg1606Isup2.hkl |
CCDC reference: 163904
Data collection: SMART (Siemens, 1995b); cell refinement: SMART; data reduction: SAINT (Siemens, 1995b); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXL97; software used to prepare material for publication: SHELXL97.
[Rh(C44H28N4)(C5H5N)I]·C7H8 | F(000) = 2040 |
Mr = 1013.75 | Dx = 1.503 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71070 Å |
a = 13.3463 (3) Å | Cell parameters from 5069 reflections |
b = 23.4600 (1) Å | θ = 1.4–24.7° |
c = 14.5584 (3) Å | µ = 1.12 mm−1 |
β = 100.560 (1)° | T = 173 K |
V = 4481.1 (2) Å3 | Plate, brown-red |
Z = 4 | 0.20 × 0.11 × 0.07 mm |
Siemens SMART CCD area-detector diffractometer | 7556 independent reflections |
Radiation source: fine-focus sealed tube | 4849 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.099 |
w scans | θmax = 24.7°, θmin = 1.7° |
Absorption correction: empirical (using intensity measurements) [SADABS (Sheldrick, 1996) and XPREP in SHELXTL (Siemens, 1995)] | h = −15→15 |
Tmin = 0.82, Tmax = 0.97 | k = −20→27 |
20724 measured reflections | l = −17→17 |
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)] = 0.070 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.126 | H-atom parameters constrained |
S = 1.13 | w = 1/[σ2(Fo2) + (0.0107P)2 + 27.4982P] where P = (Fo2 + 2Fc2)/3 |
7556 reflections | (Δ/σ)max = 0.001 |
560 parameters | Δρmax = 0.64 e Å−3 |
360 restraints | Δρmin = −0.76 e Å−3 |
Experimental. The crystal was rather mosaic (mosaicity between 0.25 and 0.45 degrees), which led to weak data at high angles. The data were collected at CHEXRAY facility at the University of California-Berkeley by Dr. F. Hollander, who determined the parameters of data collection. |
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 | Occ. (<1) | |
I1 | 0.60874 (4) | 0.13635 (2) | 0.74910 (4) | 0.02776 (16) | |
Rh | 0.67295 (5) | 0.20420 (3) | 0.89186 (4) | 0.02008 (17) | |
N1 | 0.5840 (5) | 0.2695 (3) | 0.8317 (4) | 0.0223 (16) | |
N2 | 0.7865 (5) | 0.2289 (3) | 0.8247 (4) | 0.0233 (16) | |
N3 | 0.7622 (4) | 0.1402 (3) | 0.9534 (4) | 0.0208 (15) | |
N4 | 0.5591 (5) | 0.1790 (3) | 0.9582 (4) | 0.0216 (16) | |
N5 | 0.7321 (5) | 0.2578 (3) | 1.0045 (5) | 0.0259 (17) | |
C1 | 0.4856 (6) | 0.2814 (3) | 0.8432 (6) | 0.024 (2) | |
C2 | 0.4547 (6) | 0.3351 (3) | 0.7965 (6) | 0.032 (2) | |
H2A | 0.3911 | 0.3523 | 0.7906 | 0.039* | |
C3 | 0.5366 (6) | 0.3554 (4) | 0.7630 (6) | 0.034 (2) | |
H3 | 0.5402 | 0.3899 | 0.7325 | 0.040* | |
C4 | 0.6157 (6) | 0.3140 (3) | 0.7833 (5) | 0.0195 (19) | |
C5 | 0.7121 (6) | 0.3188 (3) | 0.7557 (6) | 0.025 (2) | |
C6 | 0.7865 (6) | 0.2763 (3) | 0.7711 (5) | 0.0214 (19) | |
C7 | 0.8734 (6) | 0.2749 (4) | 0.7256 (6) | 0.029 (2) | |
H7 | 0.8923 | 0.3027 | 0.6867 | 0.035* | |
C8 | 0.9230 (6) | 0.2244 (4) | 0.7508 (6) | 0.030 (2) | |
H8 | 0.9801 | 0.2107 | 0.7297 | 0.036* | |
C9 | 0.8699 (6) | 0.1965 (3) | 0.8161 (5) | 0.0238 (19) | |
C10 | 0.9012 (6) | 0.1474 (3) | 0.8631 (5) | 0.0225 (19) | |
C11 | 0.8558 (6) | 0.1236 (3) | 0.9329 (5) | 0.0221 (19) | |
C12 | 0.8963 (6) | 0.0791 (3) | 0.9968 (5) | 0.025 (2) | |
H12 | 0.9586 | 0.0608 | 0.9991 | 0.030* | |
C13 | 0.8277 (6) | 0.0683 (3) | 1.0534 (6) | 0.026 (2) | |
H13 | 0.8345 | 0.0417 | 1.1016 | 0.031* | |
C14 | 0.7429 (6) | 0.1057 (3) | 1.0243 (5) | 0.0194 (18) | |
C15 | 0.6502 (6) | 0.1019 (3) | 1.0550 (5) | 0.0202 (19) | |
C16 | 0.5646 (6) | 0.1348 (4) | 1.0211 (5) | 0.0242 (19) | |
C17 | 0.4652 (6) | 0.1274 (3) | 1.0464 (5) | 0.025 (2) | |
H17 | 0.4479 | 0.1003 | 1.0875 | 0.030* | |
C18 | 0.4024 (7) | 0.1668 (4) | 0.9994 (6) | 0.031 (2) | |
H18 | 0.3336 | 0.1715 | 1.0014 | 0.038* | |
C19 | 0.4613 (6) | 0.2005 (3) | 0.9450 (6) | 0.025 (2) | |
C20 | 0.4264 (6) | 0.2488 (3) | 0.8922 (6) | 0.026 (2) | |
C21 | 0.7351 (6) | 0.3723 (4) | 0.7090 (6) | 0.026 (2) | |
C22 | 0.6854 (6) | 0.3869 (3) | 0.6202 (6) | 0.027 (2) | |
H22 | 0.6373 | 0.3625 | 0.5866 | 0.033* | |
C23 | 0.7083 (7) | 0.4393 (4) | 0.5811 (6) | 0.034 (2) | |
H23 | 0.6751 | 0.4495 | 0.5215 | 0.040* | |
C24 | 0.7797 (6) | 0.4753 (4) | 0.6309 (6) | 0.031 (2) | |
H24 | 0.7937 | 0.5101 | 0.6054 | 0.037* | |
C25 | 0.8298 (6) | 0.4602 (4) | 0.7170 (6) | 0.037 (2) | |
H25 | 0.8788 | 0.4844 | 0.7497 | 0.044* | |
C26 | 0.8088 (6) | 0.4089 (4) | 0.7569 (6) | 0.035 (2) | |
H26 | 0.8440 | 0.3989 | 0.8159 | 0.042* | |
C31 | 0.9898 (6) | 0.1154 (3) | 0.8383 (6) | 0.024 (2) | |
C32 | 1.0892 (6) | 0.1363 (4) | 0.8568 (6) | 0.032 (2) | |
H32 | 1.1032 | 0.1707 | 0.8882 | 0.039* | |
C33 | 1.1674 (7) | 0.1058 (4) | 0.8287 (6) | 0.035 (2) | |
H33 | 1.2335 | 0.1200 | 0.8411 | 0.042* | |
C34 | 1.1475 (7) | 0.0546 (4) | 0.7825 (6) | 0.038 (2) | |
H34 | 1.2000 | 0.0345 | 0.7632 | 0.045* | |
C35 | 1.0496 (7) | 0.0335 (4) | 0.7651 (6) | 0.044 (3) | |
H35 | 1.0359 | −0.0009 | 0.7334 | 0.053* | |
C36 | 0.9712 (7) | 0.0631 (4) | 0.7946 (6) | 0.035 (2) | |
H36 | 0.9059 | 0.0477 | 0.7849 | 0.042* | |
C41 | 0.6389 (6) | 0.0590 (3) | 1.1278 (5) | 0.0210 (19) | |
C42 | 0.6034 (6) | 0.0044 (3) | 1.1022 (6) | 0.024 (2) | |
H42 | 0.5933 | −0.0066 | 1.0399 | 0.029* | |
C43 | 0.5828 (6) | −0.0339 (4) | 1.1698 (6) | 0.028 (2) | |
H43 | 0.5580 | −0.0701 | 1.1519 | 0.034* | |
C44 | 0.5987 (6) | −0.0188 (4) | 1.2621 (6) | 0.031 (2) | |
H44 | 0.5841 | −0.0442 | 1.3069 | 0.038* | |
C45 | 0.6363 (7) | 0.0340 (4) | 1.2875 (6) | 0.038 (2) | |
H45 | 0.6482 | 0.0445 | 1.3502 | 0.046* | |
C46 | 0.6570 (7) | 0.0725 (4) | 1.2208 (6) | 0.033 (2) | |
H46 | 0.6838 | 0.1081 | 1.2398 | 0.040* | |
C51 | 0.3211 (7) | 0.2694 (4) | 0.8976 (7) | 0.035 (2) | |
C52 | 0.2472 (6) | 0.2736 (4) | 0.8176 (7) | 0.035 (2) | |
H52 | 0.2626 | 0.2633 | 0.7601 | 0.041* | |
C53 | 0.1495 (8) | 0.2932 (4) | 0.8229 (8) | 0.053 (3) | |
H53 | 0.1011 | 0.2972 | 0.7685 | 0.063* | |
C54 | 0.1251 (8) | 0.3062 (4) | 0.9054 (9) | 0.058 (3) | |
H54 | 0.0590 | 0.3177 | 0.9079 | 0.070* | |
C55 | 0.1951 (9) | 0.3029 (5) | 0.9855 (9) | 0.067 (3) | |
H55 | 0.1773 | 0.3127 | 1.0423 | 0.080* | |
C56 | 0.2962 (7) | 0.2844 (4) | 0.9821 (7) | 0.047 (3) | |
H56 | 0.3450 | 0.2825 | 1.0366 | 0.056* | |
C61 | 0.6734 (7) | 0.2933 (4) | 1.0406 (6) | 0.040 (2) | |
H61 | 0.6039 | 0.2936 | 1.0164 | 0.048* | |
C62 | 0.7103 (8) | 0.3296 (5) | 1.1120 (7) | 0.054 (3) | |
H62 | 0.6667 | 0.3546 | 1.1349 | 0.065* | |
C63 | 0.8133 (9) | 0.3289 (4) | 1.1500 (7) | 0.054 (3) | |
H63 | 0.8407 | 0.3531 | 1.1988 | 0.065* | |
C64 | 0.8739 (8) | 0.2907 (4) | 1.1126 (7) | 0.050 (3) | |
H64 | 0.9432 | 0.2884 | 1.1369 | 0.060* | |
C65 | 0.8320 (7) | 0.2565 (4) | 1.0400 (6) | 0.038 (2) | |
H65 | 0.8737 | 0.2316 | 1.0146 | 0.045* | |
C71 | 0.525 (3) | 0.5703 (16) | 0.985 (3) | 0.26 (3)* | 0.50 |
H71C | 0.4997 | 0.6067 | 1.0010 | 0.392* | 0.50 |
H71B | 0.5278 | 0.5694 | 0.9201 | 0.392* | 0.50 |
H71A | 0.5918 | 0.5642 | 1.0214 | 0.392* | 0.50 |
C72 | 0.4554 (17) | 0.5246 (12) | 1.0070 (18) | 0.126 (13)* | 0.50 |
C73 | 0.473 (2) | 0.4700 (13) | 0.983 (2) | 0.161 (11)* | 0.50 |
H73 | 0.5270 | 0.4614 | 0.9536 | 0.193* | 0.50 |
C74 | 0.410 (2) | 0.4290 (13) | 1.002 (2) | 0.181 (13)* | 0.50 |
H74 | 0.4218 | 0.3916 | 0.9860 | 0.217* | 0.50 |
C75 | 0.332 (2) | 0.4410 (14) | 1.0445 (16) | 0.199 (19)* | 0.50 |
H75 | 0.2892 | 0.4119 | 1.0574 | 0.238* | 0.50 |
C76 | 0.315 (2) | 0.4946 (15) | 1.0681 (17) | 0.181 (13)* | 0.50 |
H76 | 0.2605 | 0.5033 | 1.0975 | 0.217* | 0.50 |
C77 | 0.378 (2) | 0.5360 (12) | 1.0486 (16) | 0.161 (11)* | 0.50 |
H77 | 0.3663 | 0.5734 | 1.0648 | 0.193* | 0.50 |
C81 | −0.244 (2) | 0.4565 (13) | 0.9597 (16) | 0.173 (17)* | 0.50 |
H81A | −0.2892 | 0.4873 | 0.9385 | 0.260* | 0.50 |
H81B | −0.2591 | 0.4413 | 1.0167 | 0.260* | 0.50 |
H81C | −0.2514 | 0.4271 | 0.9130 | 0.260* | 0.50 |
C82 | −0.1374 (15) | 0.4775 (10) | 0.9765 (11) | 0.116 (11)* | 0.50 |
C83 | −0.0604 (17) | 0.4406 (9) | 1.0062 (14) | 0.102 (10)* | 0.50 |
H83 | −0.0739 | 0.4024 | 1.0160 | 0.122* | 0.50 |
C84 | 0.0368 (17) | 0.4602 (14) | 1.0215 (19) | 0.129 (7)* | 0.50 |
H84 | 0.0905 | 0.4353 | 1.0419 | 0.154* | 0.50 |
C85 | 0.0557 (16) | 0.5151 (13) | 1.007 (2) | 0.122 (12)* | 0.50 |
H85 | 0.1226 | 0.5282 | 1.0181 | 0.147* | 0.50 |
C86 | −0.022 (2) | 0.5518 (12) | 0.9776 (18) | 0.129 (7)* | 0.50 |
H86 | −0.0085 | 0.5900 | 0.9678 | 0.154* | 0.50 |
C87 | −0.1189 (16) | 0.5322 (9) | 0.9623 (13) | 0.100 (10)* | 0.50 |
H87 | −0.1727 | 0.5570 | 0.9418 | 0.120* | 0.50 |
U11 | U22 | U33 | U12 | U13 | U23 | |
I1 | 0.0234 (3) | 0.0275 (3) | 0.0312 (3) | −0.0032 (3) | 0.0020 (2) | −0.0013 (3) |
Rh | 0.0151 (3) | 0.0190 (4) | 0.0263 (4) | −0.0001 (3) | 0.0042 (3) | 0.0023 (3) |
N1 | 0.017 (4) | 0.023 (4) | 0.026 (4) | 0.003 (3) | 0.002 (3) | 0.004 (3) |
N2 | 0.025 (4) | 0.021 (4) | 0.026 (4) | 0.003 (3) | 0.011 (3) | 0.000 (3) |
N3 | 0.012 (3) | 0.025 (4) | 0.024 (4) | −0.003 (3) | 0.000 (3) | 0.002 (3) |
N4 | 0.015 (3) | 0.026 (4) | 0.022 (4) | 0.001 (3) | −0.001 (3) | 0.000 (3) |
N5 | 0.027 (4) | 0.021 (4) | 0.031 (4) | −0.004 (3) | 0.008 (3) | 0.002 (3) |
C1 | 0.023 (4) | 0.012 (4) | 0.040 (5) | 0.003 (3) | 0.009 (4) | 0.005 (4) |
C2 | 0.024 (5) | 0.026 (5) | 0.047 (5) | 0.005 (4) | 0.007 (4) | 0.007 (4) |
C3 | 0.034 (5) | 0.023 (5) | 0.043 (5) | −0.002 (4) | 0.006 (4) | 0.010 (4) |
C4 | 0.023 (4) | 0.015 (4) | 0.018 (4) | 0.007 (3) | 0.000 (3) | 0.003 (3) |
C5 | 0.018 (4) | 0.024 (4) | 0.033 (5) | 0.003 (4) | 0.005 (4) | 0.006 (4) |
C6 | 0.021 (4) | 0.018 (4) | 0.023 (4) | −0.010 (3) | −0.003 (3) | 0.003 (3) |
C7 | 0.020 (4) | 0.032 (5) | 0.035 (5) | −0.004 (4) | 0.008 (4) | 0.012 (4) |
C8 | 0.026 (5) | 0.036 (5) | 0.029 (5) | 0.004 (4) | 0.007 (4) | 0.005 (4) |
C9 | 0.026 (4) | 0.022 (4) | 0.025 (4) | 0.005 (4) | 0.008 (4) | −0.005 (4) |
C10 | 0.019 (4) | 0.020 (4) | 0.028 (4) | 0.002 (3) | 0.004 (3) | 0.011 (4) |
C11 | 0.019 (4) | 0.020 (4) | 0.028 (4) | −0.003 (3) | 0.006 (4) | 0.007 (3) |
C12 | 0.018 (4) | 0.025 (4) | 0.031 (5) | 0.002 (4) | 0.002 (4) | 0.003 (4) |
C13 | 0.019 (4) | 0.026 (5) | 0.031 (5) | 0.001 (4) | −0.001 (4) | 0.006 (4) |
C14 | 0.017 (4) | 0.027 (4) | 0.015 (4) | −0.005 (3) | 0.003 (3) | −0.002 (3) |
C15 | 0.022 (4) | 0.016 (4) | 0.022 (4) | −0.003 (3) | 0.000 (3) | −0.003 (3) |
C16 | 0.027 (4) | 0.024 (4) | 0.022 (4) | −0.003 (4) | 0.007 (3) | 0.003 (4) |
C17 | 0.029 (4) | 0.024 (4) | 0.024 (4) | 0.000 (4) | 0.013 (4) | 0.006 (4) |
C18 | 0.026 (5) | 0.029 (5) | 0.042 (5) | 0.005 (4) | 0.013 (4) | 0.005 (4) |
C19 | 0.028 (4) | 0.020 (4) | 0.029 (4) | 0.001 (4) | 0.008 (4) | −0.003 (4) |
C20 | 0.023 (4) | 0.025 (5) | 0.032 (5) | 0.003 (4) | 0.007 (4) | 0.001 (4) |
C21 | 0.028 (4) | 0.027 (5) | 0.024 (4) | 0.003 (4) | 0.005 (4) | −0.001 (4) |
C22 | 0.024 (4) | 0.027 (5) | 0.033 (5) | 0.000 (4) | 0.008 (4) | 0.002 (4) |
C23 | 0.041 (5) | 0.030 (5) | 0.031 (5) | 0.011 (4) | 0.008 (4) | 0.008 (4) |
C24 | 0.028 (5) | 0.023 (5) | 0.043 (5) | 0.002 (4) | 0.010 (4) | 0.003 (4) |
C25 | 0.026 (5) | 0.031 (5) | 0.052 (6) | −0.010 (4) | 0.004 (4) | 0.006 (4) |
C26 | 0.026 (5) | 0.033 (5) | 0.040 (5) | −0.007 (4) | −0.006 (4) | 0.008 (4) |
C31 | 0.022 (4) | 0.022 (4) | 0.029 (5) | 0.004 (4) | 0.007 (4) | 0.012 (4) |
C32 | 0.032 (5) | 0.029 (5) | 0.038 (5) | −0.001 (4) | 0.011 (4) | 0.001 (4) |
C33 | 0.023 (5) | 0.042 (5) | 0.043 (5) | −0.001 (4) | 0.013 (4) | 0.008 (4) |
C34 | 0.031 (5) | 0.045 (6) | 0.041 (5) | 0.013 (4) | 0.019 (4) | 0.019 (4) |
C35 | 0.044 (6) | 0.040 (5) | 0.046 (5) | 0.003 (5) | 0.007 (5) | −0.004 (4) |
C36 | 0.027 (5) | 0.031 (5) | 0.049 (5) | 0.006 (4) | 0.012 (4) | −0.004 (4) |
C41 | 0.017 (4) | 0.023 (4) | 0.025 (4) | 0.001 (3) | 0.008 (3) | 0.002 (4) |
C42 | 0.021 (4) | 0.031 (5) | 0.019 (4) | 0.001 (4) | 0.002 (3) | −0.001 (4) |
C43 | 0.025 (4) | 0.021 (4) | 0.043 (5) | −0.004 (4) | 0.017 (4) | 0.012 (4) |
C44 | 0.029 (5) | 0.034 (5) | 0.033 (5) | 0.008 (4) | 0.014 (4) | 0.011 (4) |
C45 | 0.037 (5) | 0.050 (6) | 0.029 (5) | 0.009 (4) | 0.011 (4) | 0.001 (4) |
C46 | 0.044 (5) | 0.030 (5) | 0.029 (5) | −0.006 (4) | 0.013 (4) | 0.003 (4) |
C51 | 0.030 (5) | 0.028 (5) | 0.050 (6) | 0.002 (4) | 0.019 (4) | 0.008 (4) |
C52 | 0.020 (4) | 0.029 (5) | 0.054 (5) | 0.004 (4) | 0.005 (4) | 0.019 (4) |
C53 | 0.041 (5) | 0.037 (5) | 0.077 (7) | 0.007 (5) | 0.001 (5) | 0.015 (5) |
C54 | 0.035 (5) | 0.057 (6) | 0.088 (7) | 0.015 (5) | 0.025 (5) | 0.022 (6) |
C55 | 0.071 (7) | 0.065 (7) | 0.078 (7) | 0.007 (6) | 0.047 (6) | 0.018 (6) |
C56 | 0.043 (5) | 0.048 (6) | 0.053 (6) | 0.019 (5) | 0.016 (5) | 0.012 (5) |
C61 | 0.043 (5) | 0.040 (5) | 0.037 (5) | −0.007 (5) | 0.010 (4) | −0.007 (4) |
C62 | 0.060 (6) | 0.055 (6) | 0.046 (6) | 0.001 (5) | 0.004 (5) | −0.011 (5) |
C63 | 0.070 (6) | 0.045 (6) | 0.043 (6) | −0.013 (5) | 0.001 (5) | −0.015 (5) |
C64 | 0.048 (6) | 0.050 (6) | 0.050 (6) | −0.018 (5) | 0.001 (5) | −0.004 (5) |
C65 | 0.032 (5) | 0.036 (5) | 0.045 (5) | −0.011 (4) | 0.004 (4) | −0.005 (4) |
I1—Rh | 2.6335 (9) | C34—H34 | 0.9300 |
Rh—N3 | 2.022 (6) | C35—C36 | 1.387 (11) |
Rh—N2 | 2.032 (6) | C35—H35 | 0.9300 |
Rh—N4 | 2.032 (6) | C36—H36 | 0.9300 |
Rh—N1 | 2.035 (6) | C41—C46 | 1.369 (11) |
Rh—N5 | 2.102 (7) | C41—C42 | 1.392 (11) |
N1—C4 | 1.371 (9) | C42—C43 | 1.397 (10) |
N1—C1 | 1.382 (9) | C42—H42 | 0.9300 |
N2—C6 | 1.359 (9) | C43—C44 | 1.369 (11) |
N2—C9 | 1.373 (9) | C43—H43 | 0.9300 |
N3—C14 | 1.371 (9) | C44—C45 | 1.362 (12) |
N3—C11 | 1.392 (9) | C44—H44 | 0.9300 |
N4—C16 | 1.375 (9) | C45—C46 | 1.390 (11) |
N4—C19 | 1.380 (10) | C45—H45 | 0.9300 |
N5—C61 | 1.317 (10) | C46—H46 | 0.9300 |
N5—C65 | 1.339 (10) | C51—C56 | 1.377 (12) |
C1—C20 | 1.388 (10) | C51—C52 | 1.386 (12) |
C1—C2 | 1.454 (11) | C52—C53 | 1.397 (12) |
C2—C3 | 1.361 (11) | C52—H52 | 0.9300 |
C2—H2A | 0.9300 | C53—C54 | 1.336 (13) |
C3—C4 | 1.424 (11) | C53—H53 | 0.9300 |
C3—H3 | 0.9300 | C54—C55 | 1.357 (14) |
C4—C5 | 1.421 (10) | C54—H54 | 0.9300 |
C5—C6 | 1.395 (10) | C55—C56 | 1.427 (13) |
C5—C21 | 1.485 (11) | C55—H55 | 0.9300 |
C6—C7 | 1.437 (11) | C56—H56 | 0.9300 |
C7—C8 | 1.375 (11) | C61—C62 | 1.365 (12) |
C7—H7 | 0.9300 | C61—H61 | 0.9300 |
C8—C9 | 1.442 (11) | C62—C63 | 1.385 (14) |
C8—H8 | 0.9300 | C62—H62 | 0.9300 |
C9—C10 | 1.365 (10) | C63—C64 | 1.384 (13) |
C10—C11 | 1.392 (10) | C63—H63 | 0.9300 |
C10—C31 | 1.499 (11) | C64—C65 | 1.363 (12) |
C11—C12 | 1.438 (10) | C64—H64 | 0.9300 |
C12—C13 | 1.364 (10) | C65—H65 | 0.9300 |
C12—H12 | 0.9300 | C71—C72 | 1.487 (19) |
C13—C14 | 1.434 (10) | C71—H71C | 0.9600 |
C13—H13 | 0.9300 | C71—H71B | 0.9600 |
C14—C15 | 1.393 (10) | C71—H71A | 0.9600 |
C15—C16 | 1.392 (10) | C72—C77 | 1.318 (17) |
C15—C41 | 1.490 (10) | C72—C73 | 1.359 (17) |
C16—C17 | 1.451 (10) | C73—C74 | 1.333 (18) |
C17—C18 | 1.347 (11) | C73—H73 | 0.9300 |
C17—H17 | 0.9300 | C74—C75 | 1.340 (18) |
C18—C19 | 1.449 (11) | C74—H74 | 0.9300 |
C18—H18 | 0.9300 | C75—C76 | 1.333 (18) |
C19—C20 | 1.401 (11) | C75—H75 | 0.9300 |
C20—C51 | 1.501 (11) | C76—C77 | 1.348 (18) |
C21—C22 | 1.385 (11) | C76—H76 | 0.9300 |
C21—C26 | 1.393 (11) | C77—H77 | 0.9300 |
C22—C23 | 1.411 (11) | C81—C82 | 1.479 (18) |
C22—H22 | 0.9300 | C81—H81A | 0.9600 |
C23—C24 | 1.377 (12) | C81—H81B | 0.9600 |
C23—H23 | 0.9300 | C81—H81C | 0.9600 |
C24—C25 | 1.355 (11) | C82—C87 | 1.330 (17) |
C24—H24 | 0.9300 | C82—C83 | 1.353 (18) |
C25—C26 | 1.387 (11) | C83—C84 | 1.356 (18) |
C25—H25 | 0.9300 | C83—H83 | 0.9300 |
C26—H26 | 0.9300 | C84—C85 | 1.336 (17) |
C31—C36 | 1.384 (11) | C84—H84 | 0.9300 |
C31—C32 | 1.394 (11) | C85—C86 | 1.355 (18) |
C32—C33 | 1.387 (11) | C85—H85 | 0.9300 |
C32—H32 | 0.9300 | C86—C87 | 1.355 (18) |
C33—C34 | 1.378 (12) | C86—H86 | 0.9300 |
C33—H33 | 0.9300 | C87—H87 | 0.9300 |
C34—C35 | 1.377 (12) | ||
N3—Rh—N2 | 89.7 (2) | C31—C32—H32 | 119.9 |
N3—Rh—N4 | 90.2 (2) | C34—C33—C32 | 120.4 (9) |
N2—Rh—N4 | 179.5 (3) | C34—C33—H33 | 119.8 |
N3—Rh—N1 | 179.1 (3) | C32—C33—H33 | 119.8 |
N2—Rh—N1 | 90.3 (3) | C35—C34—C33 | 119.6 (9) |
N4—Rh—N1 | 89.8 (2) | C35—C34—H34 | 120.2 |
N3—Rh—N5 | 89.5 (3) | C33—C34—H34 | 120.2 |
N2—Rh—N5 | 89.9 (3) | C34—C35—C36 | 120.5 (9) |
N4—Rh—N5 | 90.6 (2) | C34—C35—H35 | 119.7 |
N1—Rh—N5 | 89.5 (3) | C36—C35—H35 | 119.7 |
N3—Rh—I1 | 88.89 (18) | C31—C36—C35 | 120.2 (9) |
N2—Rh—I1 | 87.50 (18) | C31—C36—H36 | 119.9 |
N4—Rh—I1 | 92.04 (18) | C35—C36—H36 | 119.9 |
N1—Rh—I1 | 92.02 (18) | C46—C41—C42 | 117.8 (7) |
N5—Rh—I1 | 176.97 (19) | C46—C41—C15 | 121.6 (7) |
C4—N1—C1 | 107.3 (6) | C42—C41—C15 | 120.5 (7) |
C4—N1—Rh | 125.8 (5) | C41—C42—C43 | 120.4 (8) |
C1—N1—Rh | 126.3 (5) | C41—C42—H42 | 119.8 |
C6—N2—C9 | 108.4 (7) | C43—C42—H42 | 119.8 |
C6—N2—Rh | 126.0 (5) | C44—C43—C42 | 120.6 (8) |
C9—N2—Rh | 125.1 (5) | C44—C43—H43 | 119.7 |
C14—N3—C11 | 107.3 (6) | C42—C43—H43 | 119.7 |
C14—N3—Rh | 126.5 (5) | C45—C44—C43 | 119.1 (8) |
C11—N3—Rh | 126.2 (5) | C45—C44—H44 | 120.5 |
C16—N4—C19 | 107.6 (6) | C43—C44—H44 | 120.5 |
C16—N4—Rh | 125.6 (5) | C44—C45—C46 | 120.8 (9) |
C19—N4—Rh | 126.7 (5) | C44—C45—H45 | 119.6 |
C61—N5—C65 | 118.9 (8) | C46—C45—H45 | 119.6 |
C61—N5—Rh | 121.6 (6) | C41—C46—C45 | 121.3 (8) |
C65—N5—Rh | 119.5 (6) | C41—C46—H46 | 119.3 |
N1—C1—C20 | 126.5 (7) | C45—C46—H46 | 119.3 |
N1—C1—C2 | 108.3 (7) | C56—C51—C52 | 118.8 (9) |
C20—C1—C2 | 125.3 (7) | C56—C51—C20 | 120.7 (9) |
C3—C2—C1 | 107.0 (8) | C52—C51—C20 | 120.5 (8) |
C3—C2—H2A | 126.5 | C51—C52—C53 | 120.3 (9) |
C1—C2—H2A | 126.5 | C51—C52—H52 | 119.8 |
C2—C3—C4 | 107.6 (7) | C53—C52—H52 | 119.8 |
C2—C3—H3 | 126.2 | C54—C53—C52 | 120.5 (10) |
C4—C3—H3 | 126.2 | C54—C53—H53 | 119.7 |
N1—C4—C5 | 125.9 (7) | C52—C53—H53 | 119.7 |
N1—C4—C3 | 109.8 (7) | C53—C54—C55 | 121.2 (10) |
C5—C4—C3 | 124.4 (7) | C53—C54—H54 | 119.4 |
C6—C5—C4 | 123.6 (7) | C55—C54—H54 | 119.4 |
C6—C5—C21 | 118.5 (7) | C54—C55—C56 | 119.5 (11) |
C4—C5—C21 | 117.9 (7) | C54—C55—H55 | 120.2 |
N2—C6—C5 | 127.0 (7) | C56—C55—H55 | 120.2 |
N2—C6—C7 | 109.3 (7) | C51—C56—C55 | 119.6 (10) |
C5—C6—C7 | 123.6 (7) | C51—C56—H56 | 120.2 |
C8—C7—C6 | 106.7 (7) | C55—C56—H56 | 120.2 |
C8—C7—H7 | 126.7 | N5—C61—C62 | 122.7 (9) |
C6—C7—H7 | 126.7 | N5—C61—H61 | 118.7 |
C7—C8—C9 | 107.2 (7) | C62—C61—H61 | 118.7 |
C7—C8—H8 | 126.4 | C61—C62—C63 | 119.4 (10) |
C9—C8—H8 | 126.4 | C61—C62—H62 | 120.3 |
C10—C9—N2 | 126.9 (7) | C63—C62—H62 | 120.3 |
C10—C9—C8 | 124.8 (7) | C64—C63—C62 | 117.3 (9) |
N2—C9—C8 | 108.3 (7) | C64—C63—H63 | 121.3 |
C9—C10—C11 | 124.7 (7) | C62—C63—H63 | 121.3 |
C9—C10—C31 | 119.0 (7) | C65—C64—C63 | 120.0 (10) |
C11—C10—C31 | 116.3 (7) | C65—C64—H64 | 120.0 |
C10—C11—N3 | 125.0 (7) | C63—C64—H64 | 120.0 |
C10—C11—C12 | 127.0 (7) | N5—C65—C64 | 121.6 (9) |
N3—C11—C12 | 108.0 (7) | N5—C65—H65 | 119.2 |
C13—C12—C11 | 108.2 (7) | C64—C65—H65 | 119.2 |
C13—C12—H12 | 125.9 | C72—C71—H71C | 109.5 |
C11—C12—H12 | 125.9 | C72—C71—H71B | 109.5 |
C12—C13—C14 | 106.7 (7) | H71C—C71—H71B | 109.5 |
C12—C13—H13 | 126.6 | C72—C71—H71A | 109.5 |
C14—C13—H13 | 126.6 | H71C—C71—H71A | 109.5 |
N3—C14—C15 | 125.4 (7) | H71B—C71—H71A | 109.5 |
N3—C14—C13 | 109.7 (7) | C77—C72—C73 | 119.5 (15) |
C15—C14—C13 | 124.4 (7) | C77—C72—C71 | 121.6 (14) |
C16—C15—C14 | 124.8 (7) | C73—C72—C71 | 118.9 (14) |
C16—C15—C41 | 116.3 (7) | C74—C73—C72 | 119.0 (15) |
C14—C15—C41 | 118.9 (7) | C74—C73—H73 | 120.5 |
N4—C16—C15 | 126.4 (7) | C72—C73—H73 | 120.5 |
N4—C16—C17 | 108.6 (7) | C73—C74—C75 | 121.0 (15) |
C15—C16—C17 | 125.0 (7) | C73—C74—H74 | 119.5 |
C18—C17—C16 | 107.5 (7) | C75—C74—H74 | 119.5 |
C18—C17—H17 | 126.2 | C76—C75—C74 | 120.0 (15) |
C16—C17—H17 | 126.2 | C76—C75—H75 | 120.0 |
C17—C18—C19 | 107.6 (7) | C74—C75—H75 | 120.0 |
C17—C18—H18 | 126.2 | C75—C76—C77 | 118.9 (15) |
C19—C18—H18 | 126.2 | C75—C76—H76 | 120.6 |
N4—C19—C20 | 125.8 (7) | C77—C76—H76 | 120.6 |
N4—C19—C18 | 108.6 (7) | C72—C77—C76 | 121.5 (15) |
C20—C19—C18 | 125.6 (7) | C72—C77—H77 | 119.2 |
C1—C20—C19 | 124.3 (7) | C76—C77—H77 | 119.2 |
C1—C20—C51 | 118.5 (7) | C82—C81—H81A | 109.5 |
C19—C20—C51 | 116.9 (7) | C82—C81—H81B | 109.5 |
C22—C21—C26 | 119.2 (8) | H81A—C81—H81B | 109.5 |
C22—C21—C5 | 122.2 (8) | C82—C81—H81C | 109.5 |
C26—C21—C5 | 118.5 (7) | H81A—C81—H81C | 109.5 |
C21—C22—C23 | 119.4 (8) | H81B—C81—H81C | 109.5 |
C21—C22—H22 | 120.3 | C87—C82—C83 | 121.1 (14) |
C23—C22—H22 | 120.3 | C87—C82—C81 | 119.7 (14) |
C24—C23—C22 | 120.2 (8) | C83—C82—C81 | 119.2 (14) |
C24—C23—H23 | 119.9 | C82—C83—C84 | 118.8 (15) |
C22—C23—H23 | 119.9 | C82—C83—H83 | 120.6 |
C25—C24—C23 | 120.1 (8) | C84—C83—H83 | 120.6 |
C25—C24—H24 | 119.9 | C85—C84—C83 | 120.3 (15) |
C23—C24—H24 | 119.9 | C85—C84—H84 | 119.8 |
C24—C25—C26 | 120.8 (8) | C83—C84—H84 | 119.8 |
C24—C25—H25 | 119.6 | C84—C85—C86 | 120.5 (15) |
C26—C25—H25 | 119.6 | C84—C85—H85 | 119.8 |
C25—C26—C21 | 120.2 (8) | C86—C85—H85 | 119.8 |
C25—C26—H26 | 119.9 | C85—C86—C87 | 119.3 (15) |
C21—C26—H26 | 119.9 | C85—C86—H86 | 120.4 |
C36—C31—C32 | 119.0 (8) | C87—C86—H86 | 120.4 |
C36—C31—C10 | 118.2 (7) | C82—C87—C86 | 120.0 (15) |
C32—C31—C10 | 122.8 (8) | C82—C87—H87 | 120.0 |
C33—C32—C31 | 120.2 (8) | C86—C87—H87 | 120.0 |
C33—C32—H32 | 119.9 |