Superimposed saddle and ruffled distortions of the porphyrin in iodo(pyridine-N)(5,10,15,20-tetraphenylporphyrinato-κ⁴N)rhodium(III) toluene solvate

In the title compound, [RhI(C₄₄H₂₈N₄)(C₅H₅N)]·C₇H₈, the porphyrin ring experiences significant distortion from planarity (a saddle conformation with a superimposed ruffling), as a result of steric interactions with the 2,6-H atoms of the axial pyridine ligand. This also leads to a slight lengthening of the Rh–pyridine bond [Rh—N 2.102 (7) Å] relative to those seen in other pyridine adducts of six-coordinate Rh^III. The metric parameters of the porphyrin core are comparable with those of related metalloporphyrin derivatives. No significant intermolecular interactions are observed between the metalloporphyrin and disordered solvate species.

Computing details

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.

iodo(pyridine-N)(5,10,15,20-tetraphenylporphyrinato-κ⁴N)rhodium(III) toluene solvate

Crystal data

[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) Å^3	Plate, brown-red
Z = 4	0.20 × 0.11 × 0.07 mm

Data collection

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

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.070	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.126	H-atom parameters constrained
S = 1.13	w = 1/[σ^2(Fo^2) + (0.0107P)^2 + 27.4982P] where P = (Fo^2 + 2Fc^2)/3
7556 reflections	(Δ/σ)max = 0.001
560 parameters	Δρmax = 0.64 e Å^−3
360 restraints	Δρmin = −0.76 e Å^−3

Special details

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	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

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
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)

Geometric parameters (Å, º)

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