[1,1′-Bis­(di­phenyl­phosphino)­ferrocene-κ²P,P′](1,5-cycloocta­diene)­rhodium(I) tri­fluoro­methane­sulfonate di­chloro­methane disolvate

The title compound, [Rh(C₈H₁₂)(C₃₄H₂₈P₂Fe)]CF₃SO₃·2CH₂Cl₂ or [RhFe(C₈H₁₂)(C₁₇H₁₄P)₂]CF₃SO₃·2CH₂Cl₂, was synthesized by reacting 1,1′-bis­(di­phenyl­phosphino)­ferrocene (dppf) with [Rh(1,5-cycloocta­diene)(THF)₂]⁺ in tetra­hydro­furan (THF), and shows dppf acting as a P,P′-bidentate chelating ligand. The compound crystallizes in the space group P2₁/n and features one crystallographically unique Rh⁺ metal centre, which appears in a distorted square-planar geometry.

Key indicators

• Single-crystal X-ray study
• T = 180 K
• Mean [sigma](C-C) = 0.012 Å
• R factor = 0.082
• wR factor = 0.234
• Data-to-parameter ratio = 20.4

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

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Computing details

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 at al., 1994); program(s) used to refine structure: SHELXTL (Bruker, 2001); molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

[1,1'-Bis(diphenylphosphino)ferrocene-κ²P,P'](1,5-cyclo-octadiene)rhodium(I) trifluoromethanesulfonate dichloromethane disolvate

Crystal data

[RhFe(C8H12)(C17H14P)2]CF3SO3·2CH2Cl2	F(000) = 2200
Mr = 1084.36	Dx = 1.627 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
a = 15.1298 (2) Å	Cell parameters from 51598 reflections
b = 16.5875 (3) Å	θ = 1.0–27.5°
c = 19.1186 (4) Å	µ = 1.12 mm^−1
β = 112.723 (1)°	T = 180 K
V = 4425.69 (14) Å^3	Block, yellow
Z = 4	0.16 × 0.07 × 0.05 mm

Data collection

Nonius KappaCCD diffractometer	8021 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.048
Thin–slice ω and φ scans	θmax = 27.5°, θmin = 3.7°
Absorption correction: multi-scan (SORTAV; Blessing, 1995)	h = −19→19
Tmin = 0.896, Tmax = 0.958	k = −21→21
32010 measured reflections	l = −24→24
10110 independent reflections

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)] = 0.082	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.234	H-atom parameters constrained
S = 1.05	w = 1/[σ^2(Fo^2) + (0.1147P)^2 + 36.1684P] where P = (Fo^2 + 2Fc^2)/3
10110 reflections	(Δ/σ)max = 0.003
496 parameters	Δρmax = 2.99 e Å^−3
12 restraints	Δρmin = −2.23 e Å^−3

Special details

Experimental. Trifluoromethanesulfonate very poorly resolved: bond length constraints and a single common isotropic temperature factor used for this moiety.

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
Rh1	0.07265 (3)	0.21048 (3)	−0.22503 (3)	0.02123 (15)
Fe1	−0.05156 (7)	−0.02382 (5)	−0.32904 (5)	0.0271 (2)
P1	0.07475 (11)	0.08283 (9)	−0.17123 (9)	0.0223 (3)
P2	−0.04020 (11)	0.17825 (9)	−0.34454 (9)	0.0218 (3)
C1	0.1301 (6)	0.3143 (5)	−0.2677 (4)	0.0412 (18)
H1	0.1250	0.2795	−0.3086	0.049*
C2	0.0477 (6)	0.3395 (4)	−0.2609 (4)	0.0403 (17)
H2	−0.0105	0.3236	−0.3005	0.048*
C3	0.0374 (7)	0.3893 (5)	−0.1984 (5)	0.052 (2)
H3A	0.0502	0.4465	−0.2060	0.062*
H3B	−0.0297	0.3855	−0.2022	0.062*
C4	0.1025 (7)	0.3643 (5)	−0.1209 (5)	0.049 (2)
H4A	0.0732	0.3798	−0.0846	0.058*
H4B	0.1636	0.3943	−0.1068	0.058*
C5	0.1244 (5)	0.2744 (4)	−0.1126 (4)	0.0335 (15)
H5	0.0816	0.2401	−0.1011	0.040*
C6	0.2017 (5)	0.2402 (4)	−0.1209 (4)	0.0326 (14)
H6	0.2121	0.1844	−0.1096	0.039*
C7	0.2731 (6)	0.2827 (5)	−0.1466 (5)	0.051 (2)
H7A	0.3183	0.3137	−0.1032	0.061*
H7B	0.3107	0.2413	−0.1604	0.061*
C8	0.2293 (6)	0.3394 (6)	−0.2130 (5)	0.054 (2)
H8A	0.2722	0.3426	−0.2410	0.065*
H8B	0.2253	0.3939	−0.1934	0.065*
C9	−0.1598 (4)	0.1970 (4)	−0.3450 (4)	0.0242 (12)
C10	−0.1665 (5)	0.2179 (4)	−0.2769 (4)	0.0307 (14)
H10	−0.1098	0.2243	−0.2326	0.037*
C11	−0.2560 (6)	0.2296 (5)	−0.2731 (5)	0.0398 (17)
H11	−0.2600	0.2450	−0.2266	0.048*
C12	−0.3385 (5)	0.2188 (5)	−0.3369 (5)	0.0408 (17)
H12	−0.3994	0.2244	−0.3339	0.049*
C13	−0.3320 (5)	0.1997 (4)	−0.4051 (5)	0.0370 (16)
H13	−0.3890	0.1935	−0.4492	0.044*
C14	−0.2432 (5)	0.1896 (4)	−0.4103 (4)	0.0304 (14)
H14	−0.2394	0.1777	−0.4577	0.037*
C15	−0.0371 (4)	0.2392 (4)	−0.4241 (3)	0.0225 (11)
C16	−0.0935 (5)	0.3082 (4)	−0.4494 (4)	0.0272 (13)
H16	−0.1371	0.3236	−0.4271	0.033*
C17	−0.0853 (5)	0.3543 (4)	−0.5077 (4)	0.0307 (14)
H17	−0.1221	0.4022	−0.5240	0.037*
C18	−0.0237 (5)	0.3305 (5)	−0.5417 (4)	0.0345 (15)
H18	−0.0196	0.3614	−0.5821	0.041*
C19	0.0318 (5)	0.2620 (5)	−0.5170 (4)	0.0337 (14)
H19	0.0742	0.2459	−0.5404	0.040*
C20	0.0255 (5)	0.2167 (4)	−0.4580 (4)	0.0286 (13)
H20	0.0642	0.1701	−0.4407	0.034*
C21	0.1909 (4)	0.0341 (4)	−0.1483 (4)	0.0280 (13)
C22	0.2490 (5)	0.0576 (4)	−0.1853 (4)	0.0281 (13)
H22	0.2288	0.0998	−0.2216	0.034*
C23	0.3364 (5)	0.0201 (5)	−0.1700 (4)	0.0373 (16)
H23	0.3755	0.0357	−0.1964	0.045*
C24	0.3665 (5)	−0.0409 (5)	−0.1154 (4)	0.0415 (18)
H24	0.4271	−0.0658	−0.1039	0.050*
C25	0.3088 (6)	−0.0654 (4)	−0.0781 (4)	0.0401 (17)
H25	0.3298	−0.1066	−0.0408	0.048*
C26	0.2206 (5)	−0.0293 (4)	−0.0956 (4)	0.0312 (14)
H26	0.1796	−0.0474	−0.0717	0.037*
C27	0.0614 (5)	0.0908 (4)	−0.0803 (4)	0.0269 (13)
C28	−0.0304 (6)	0.1022 (4)	−0.0813 (5)	0.0377 (16)
H28	−0.0839	0.1023	−0.1284	0.045*
C29	−0.0449 (7)	0.1133 (5)	−0.0142 (5)	0.047 (2)
H29	−0.1079	0.1211	−0.0158	0.057*
C30	0.0324 (7)	0.1131 (5)	0.0546 (5)	0.048 (2)
H30	0.0229	0.1201	0.1005	0.058*
C31	0.1229 (7)	0.1026 (5)	0.0558 (4)	0.0454 (19)
H31	0.1761	0.1027	0.1031	0.054*
C32	0.1383 (6)	0.0918 (4)	−0.0103 (4)	0.0359 (15)
H32	0.2017	0.0851	−0.0080	0.043*
C33	−0.0445 (4)	0.0782 (4)	−0.3833 (3)	0.0243 (12)
C34	−0.1256 (5)	0.0317 (4)	−0.4302 (4)	0.0302 (14)
H34	−0.1906	0.0486	−0.4486	0.036*
C35	−0.0918 (5)	−0.0436 (4)	−0.4444 (4)	0.0346 (15)
H35	−0.1305	−0.0862	−0.4737	0.041*
C36	0.0095 (5)	−0.0449 (4)	−0.4075 (4)	0.0352 (15)
H36	0.0502	−0.0884	−0.4078	0.042*
C37	0.0398 (5)	0.0303 (4)	−0.3699 (4)	0.0284 (13)
H37	0.1041	0.0461	−0.3413	0.034*
C38	−0.0062 (5)	0.0004 (4)	−0.2175 (4)	0.0268 (13)
C39	0.0229 (6)	−0.0802 (4)	−0.2287 (4)	0.0339 (15)
H39	0.0870	−0.0994	−0.2119	0.041*
C40	−0.0610 (6)	−0.1253 (5)	−0.2690 (4)	0.0420 (18)
H40	−0.0627	−0.1800	−0.2842	0.050*
C41	−0.1411 (6)	−0.0755 (5)	−0.2827 (4)	0.0398 (17)
H41	−0.2061	−0.0910	−0.3085	0.048*
C42	−0.1086 (5)	0.0026 (4)	−0.2514 (4)	0.0316 (14)
H42	−0.1479	0.0477	−0.2528	0.038*
C44	−0.3714 (10)	0.0837 (8)	−0.1801 (7)	0.081 (3)
H44A	−0.3318	0.0702	−0.2094	0.098*
H44B	−0.4350	0.1017	−0.2163	0.098*
Cl1	−0.3849 (3)	−0.0017 (2)	−0.1322 (2)	0.0968 (11)
Cl2	−0.3169 (3)	0.16150 (18)	−0.11693 (18)	0.0790 (8)
C45	0.1260 (10)	−0.4169 (7)	0.0438 (7)	0.074 (3)
H45A	0.0814	−0.4229	−0.0098	0.088*
H45B	0.1921	−0.4206	0.0456	0.088*
Cl3	0.1092 (2)	−0.32091 (17)	0.07668 (19)	0.0755 (8)
Cl4	0.1069 (3)	−0.49435 (18)	0.0964 (2)	0.0862 (9)
S1	0.1460 (4)	−0.3696 (3)	−0.1587 (3)	0.1197 (10)*
O1	0.0744 (8)	−0.4042 (7)	−0.1338 (7)	0.1197 (10)*
O2	0.2382 (8)	−0.3969 (7)	−0.1487 (7)	0.1197 (10)*
O3	0.0872 (8)	−0.3373 (7)	−0.2397 (6)	0.1197 (10)*
C43	0.1746 (11)	−0.2809 (10)	−0.1104 (9)	0.1197 (10)*
F1	0.2227 (7)	−0.2302 (6)	−0.1385 (5)	0.1197 (10)*
F2	0.1039 (7)	−0.2338 (6)	−0.1107 (5)	0.1197 (10)*
F3	0.2312 (7)	−0.2924 (6)	−0.0357 (6)	0.1197 (10)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Rh1	0.0226 (2)	0.0163 (2)	0.0207 (2)	−0.00051 (16)	0.00382 (18)	0.00148 (17)
Fe1	0.0308 (5)	0.0190 (4)	0.0271 (5)	−0.0033 (3)	0.0064 (4)	−0.0009 (3)
P1	0.0238 (7)	0.0179 (7)	0.0225 (7)	0.0007 (6)	0.0059 (6)	0.0021 (6)
P2	0.0222 (7)	0.0187 (7)	0.0215 (7)	−0.0001 (5)	0.0051 (6)	0.0011 (6)
C1	0.048 (4)	0.037 (4)	0.030 (4)	−0.023 (3)	0.005 (3)	0.006 (3)
C2	0.059 (5)	0.019 (3)	0.030 (4)	−0.003 (3)	0.003 (3)	0.005 (3)
C3	0.071 (6)	0.030 (4)	0.042 (4)	0.009 (4)	0.007 (4)	0.002 (3)
C4	0.074 (6)	0.028 (4)	0.039 (4)	0.008 (4)	0.017 (4)	0.001 (3)
C5	0.048 (4)	0.025 (3)	0.022 (3)	−0.001 (3)	0.006 (3)	0.000 (2)
C6	0.030 (3)	0.026 (3)	0.031 (3)	−0.005 (3)	−0.001 (3)	0.006 (3)
C7	0.029 (4)	0.053 (5)	0.056 (5)	−0.007 (3)	0.000 (3)	0.021 (4)
C8	0.043 (4)	0.067 (6)	0.045 (5)	−0.025 (4)	0.009 (4)	0.003 (4)
C9	0.025 (3)	0.018 (3)	0.028 (3)	0.001 (2)	0.009 (2)	0.003 (2)
C10	0.032 (3)	0.029 (3)	0.029 (3)	0.004 (3)	0.009 (3)	0.002 (3)
C11	0.044 (4)	0.042 (4)	0.044 (4)	0.004 (3)	0.028 (4)	0.005 (3)
C12	0.035 (4)	0.042 (4)	0.051 (5)	0.008 (3)	0.022 (3)	0.011 (3)
C13	0.025 (3)	0.032 (4)	0.048 (4)	0.002 (3)	0.007 (3)	0.004 (3)
C14	0.029 (3)	0.025 (3)	0.033 (3)	0.002 (2)	0.008 (3)	−0.001 (3)
C15	0.023 (3)	0.021 (3)	0.018 (3)	−0.003 (2)	0.002 (2)	0.000 (2)
C16	0.028 (3)	0.024 (3)	0.026 (3)	−0.002 (2)	0.007 (3)	0.002 (2)
C17	0.027 (3)	0.026 (3)	0.030 (3)	−0.001 (2)	0.001 (3)	0.006 (3)
C18	0.032 (3)	0.041 (4)	0.024 (3)	−0.010 (3)	0.004 (3)	0.007 (3)
C19	0.031 (3)	0.038 (4)	0.033 (4)	−0.001 (3)	0.013 (3)	0.003 (3)
C20	0.032 (3)	0.022 (3)	0.031 (3)	0.000 (2)	0.012 (3)	0.001 (2)
C21	0.025 (3)	0.024 (3)	0.030 (3)	0.006 (2)	0.006 (3)	−0.002 (3)
C22	0.030 (3)	0.026 (3)	0.024 (3)	0.001 (2)	0.006 (3)	−0.005 (2)
C23	0.033 (3)	0.042 (4)	0.034 (4)	0.001 (3)	0.010 (3)	−0.017 (3)
C24	0.032 (4)	0.038 (4)	0.044 (4)	0.016 (3)	0.002 (3)	−0.015 (3)
C25	0.047 (4)	0.027 (4)	0.037 (4)	0.013 (3)	0.005 (3)	0.002 (3)
C26	0.037 (3)	0.021 (3)	0.031 (3)	0.004 (3)	0.007 (3)	0.006 (3)
C27	0.037 (3)	0.019 (3)	0.026 (3)	−0.001 (2)	0.013 (3)	0.005 (2)
C28	0.045 (4)	0.030 (4)	0.043 (4)	−0.001 (3)	0.022 (3)	−0.001 (3)
C29	0.063 (5)	0.039 (4)	0.058 (5)	−0.005 (4)	0.043 (5)	−0.004 (4)
C30	0.084 (6)	0.036 (4)	0.038 (4)	−0.010 (4)	0.038 (4)	−0.002 (3)
C31	0.071 (6)	0.036 (4)	0.029 (4)	0.001 (4)	0.019 (4)	0.002 (3)
C32	0.046 (4)	0.028 (3)	0.032 (4)	−0.006 (3)	0.012 (3)	0.000 (3)
C33	0.028 (3)	0.021 (3)	0.021 (3)	−0.003 (2)	0.006 (2)	0.001 (2)
C34	0.034 (3)	0.027 (3)	0.025 (3)	−0.002 (3)	0.007 (3)	0.002 (3)
C35	0.044 (4)	0.023 (3)	0.031 (3)	−0.001 (3)	0.009 (3)	−0.004 (3)
C36	0.046 (4)	0.025 (3)	0.037 (4)	0.000 (3)	0.018 (3)	−0.005 (3)
C37	0.033 (3)	0.023 (3)	0.030 (3)	−0.002 (2)	0.013 (3)	0.000 (3)
C38	0.032 (3)	0.019 (3)	0.027 (3)	−0.004 (2)	0.009 (3)	0.003 (2)
C39	0.045 (4)	0.022 (3)	0.030 (3)	−0.003 (3)	0.009 (3)	0.001 (3)
C40	0.061 (5)	0.024 (3)	0.037 (4)	−0.016 (3)	0.015 (4)	0.000 (3)
C41	0.041 (4)	0.036 (4)	0.039 (4)	−0.020 (3)	0.012 (3)	0.001 (3)
C42	0.030 (3)	0.034 (4)	0.029 (3)	−0.006 (3)	0.009 (3)	0.002 (3)
C44	0.086 (8)	0.081 (8)	0.076 (8)	−0.009 (6)	0.029 (7)	0.019 (6)
Cl1	0.099 (2)	0.0676 (19)	0.087 (2)	−0.0211 (17)	−0.0044 (18)	0.0099 (16)
Cl2	0.107 (2)	0.0656 (17)	0.086 (2)	−0.0159 (16)	0.0611 (18)	−0.0058 (14)
C45	0.090 (8)	0.058 (6)	0.073 (7)	0.000 (6)	0.033 (6)	−0.006 (5)
Cl3	0.0822 (18)	0.0568 (15)	0.094 (2)	−0.0039 (13)	0.0415 (17)	−0.0038 (14)
Cl4	0.093 (2)	0.0545 (16)	0.106 (2)	−0.0006 (14)	0.0327 (19)	0.0120 (16)

Geometric parameters (Å, º)

Rh1—C1	2.221 (7)	C38—C39	1.449 (9)
Rh1—C2	2.234 (7)	C39—C40	1.417 (10)
Rh1—C6	2.240 (6)	C40—C41	1.406 (12)
Rh1—C5	2.248 (7)	C41—C42	1.431 (10)
Rh1—P2	2.3255 (16)	C44—Cl2	1.742 (14)
Rh1—P1	2.3488 (16)	C44—Cl1	1.742 (12)
Fe1—C33	2.009 (6)	C45—Cl4	1.724 (12)
Fe1—C38	2.012 (6)	C45—Cl3	1.765 (11)
Fe1—C42	2.032 (7)	S1—O2	1.407 (11)
Fe1—C39	2.039 (7)	S1—O1	1.459 (11)
Fe1—C37	2.041 (6)	S1—O3	1.553 (11)
Fe1—C34	2.043 (7)	S1—C43	1.702 (17)
Fe1—C41	2.069 (7)	C43—F2	1.322 (15)
Fe1—C40	2.073 (7)	C43—F1	1.351 (15)
Fe1—C36	2.074 (7)	C43—F3	1.366 (15)
Fe1—C35	2.075 (7)	C1—H1	0.9500
P1—C38	1.821 (6)	C2—H2	0.9500
P1—C21	1.828 (6)	C3—H3A	0.9900
P1—C27	1.832 (6)	C3—H3B	0.9900
P2—C33	1.808 (6)	C4—H4A	0.9900
P2—C9	1.833 (6)	C4—H4B	0.9900
P2—C15	1.841 (6)	C5—H5	0.9500
C1—C2	1.369 (12)	C6—H6	0.9500
C1—C8	1.520 (10)	C7—H7A	0.9900
C2—C3	1.510 (11)	C7—H7B	0.9900
C3—C4	1.487 (12)	C8—H8A	0.9900
C4—C5	1.523 (10)	C8—H8B	0.9900
C5—C6	1.363 (10)	C10—H10	0.9500
C6—C7	1.520 (10)	C11—H11	0.9500
C7—C8	1.511 (12)	C12—H12	0.9500
C9—C10	1.388 (9)	C13—H13	0.9500
C9—C14	1.395 (9)	C14—H14	0.9500
C10—C11	1.397 (10)	C16—H16	0.9500
C11—C12	1.379 (12)	C17—H17	0.9500
C12—C13	1.382 (11)	C18—H18	0.9500
C13—C14	1.396 (10)	C19—H19	0.9500
C15—C20	1.389 (9)	C20—H20	0.9500
C15—C16	1.398 (9)	C22—H22	0.9500
C16—C17	1.396 (9)	C23—H23	0.9500
C17—C18	1.384 (10)	C24—H24	0.9500
C18—C19	1.384 (10)	C25—H25	0.9500
C19—C20	1.390 (9)	C26—H26	0.9500
C21—C22	1.381 (9)	C28—H28	0.9500
C21—C26	1.404 (9)	C29—H29	0.9500
C22—C23	1.387 (9)	C30—H30	0.9500
C23—C24	1.398 (12)	C31—H31	0.9500
C24—C25	1.385 (12)	C32—H32	0.9500
C25—C26	1.382 (10)	C34—H34	0.9500
C27—C32	1.393 (10)	C35—H35	0.9500
C27—C28	1.395 (10)	C36—H36	0.9500
C28—C29	1.395 (11)	C37—H37	0.9500
C29—C30	1.381 (13)	C39—H39	0.9500
C30—C31	1.372 (13)	C40—H40	0.9500
C31—C32	1.382 (10)	C41—H41	0.9500
C33—C34	1.433 (9)	C42—H42	0.9500
C33—C37	1.440 (9)	C44—H44A	0.9900
C34—C35	1.416 (9)	C44—H44B	0.9900
C35—C36	1.419 (10)	C45—H45A	0.9900
C36—C37	1.424 (9)	C45—H45B	0.9900
C38—C42	1.430 (9)
C1—Rh1—C2	35.8 (3)	C42—C38—C39	107.1 (6)
C1—Rh1—C6	79.9 (3)	C42—C38—P1	127.5 (5)
C2—Rh1—C6	92.7 (3)	C39—C38—P1	125.4 (5)
C1—Rh1—C5	86.8 (3)	C42—C38—Fe1	70.0 (4)
C2—Rh1—C5	78.3 (3)	C39—C38—Fe1	70.0 (4)
C6—Rh1—C5	35.4 (3)	P1—C38—Fe1	123.7 (3)
C1—Rh1—P2	93.44 (19)	C40—C39—C38	107.9 (7)
C2—Rh1—P2	86.89 (19)	C40—C39—Fe1	71.1 (4)
C6—Rh1—P2	168.8 (2)	C38—C39—Fe1	68.1 (4)
C5—Rh1—P2	154.2 (2)	C41—C40—C39	108.5 (7)
C1—Rh1—P1	156.7 (2)	C41—C40—Fe1	70.0 (4)
C2—Rh1—P1	165.9 (2)	C39—C40—Fe1	68.6 (4)
C6—Rh1—P1	87.11 (18)	C40—C41—C42	108.8 (6)
C5—Rh1—P1	93.76 (18)	C40—C41—Fe1	70.3 (4)
P2—Rh1—P1	95.95 (6)	C42—C41—Fe1	68.2 (4)
C33—Fe1—C38	108.3 (2)	C41—C42—C38	107.7 (6)
C33—Fe1—C42	108.5 (3)	C41—C42—Fe1	70.9 (4)
C38—Fe1—C42	41.4 (3)	C38—C42—Fe1	68.5 (4)
C33—Fe1—C39	138.8 (3)	Cl2—C44—Cl1	111.0 (7)
C38—Fe1—C39	41.9 (3)	Cl4—C45—Cl3	112.6 (7)
C42—Fe1—C39	69.4 (3)	O2—S1—O1	130.6 (7)
C33—Fe1—C37	41.7 (3)	O2—S1—O3	113.8 (7)
C38—Fe1—C37	108.3 (3)	O1—S1—O3	104.4 (6)
C42—Fe1—C37	136.6 (3)	O2—S1—C43	100.0 (8)
C39—Fe1—C37	110.6 (3)	O1—S1—C43	103.2 (8)
C33—Fe1—C34	41.4 (2)	O3—S1—C43	99.8 (7)
C38—Fe1—C34	138.7 (3)	F2—C43—F1	101.0 (12)
C42—Fe1—C34	111.3 (3)	F2—C43—F3	105.4 (12)
C39—Fe1—C34	179.3 (3)	F1—C43—F3	106.6 (12)
C37—Fe1—C34	69.1 (3)	F2—C43—S1	118.2 (12)
C33—Fe1—C41	138.1 (3)	F1—C43—S1	112.7 (11)
C38—Fe1—C41	68.9 (3)	F3—C43—S1	111.9 (11)
C42—Fe1—C41	40.8 (3)	C2—C1—H1	118.5
C39—Fe1—C41	67.8 (3)	C8—C1—H1	118.5
C37—Fe1—C41	177.2 (3)	Rh1—C1—H1	85.0
C34—Fe1—C41	112.5 (3)	C1—C2—H2	115.9
C33—Fe1—C40	176.8 (3)	C3—C2—H2	115.9
C38—Fe1—C40	69.1 (3)	Rh1—C2—H2	88.5
C42—Fe1—C40	68.3 (3)	C4—C3—H3A	108.8
C39—Fe1—C40	40.3 (3)	C2—C3—H3A	108.8
C37—Fe1—C40	140.4 (3)	C4—C3—H3B	108.8
C34—Fe1—C40	139.6 (3)	C2—C3—H3B	108.8
C41—Fe1—C40	39.7 (3)	H3A—C3—H3B	107.7
C33—Fe1—C36	69.0 (3)	C3—C4—H4A	108.7
C38—Fe1—C36	137.4 (3)	C5—C4—H4A	108.7
C42—Fe1—C36	177.1 (3)	C3—C4—H4B	108.7
C39—Fe1—C36	111.4 (3)	C5—C4—H4B	108.7
C37—Fe1—C36	40.5 (3)	H4A—C4—H4B	107.6
C34—Fe1—C36	68.0 (3)	C6—C5—H5	118.1
C41—Fe1—C36	142.0 (3)	C4—C5—H5	118.0
C40—Fe1—C36	114.1 (3)	Rh1—C5—H5	85.6
C33—Fe1—C35	68.7 (3)	C5—C6—H6	116.8
C38—Fe1—C35	176.3 (3)	C7—C6—H6	116.8
C42—Fe1—C35	141.0 (3)	Rh1—C6—H6	89.9
C39—Fe1—C35	139.1 (3)	C8—C7—H7A	108.5
C37—Fe1—C35	68.1 (3)	C6—C7—H7A	108.5
C34—Fe1—C35	40.2 (3)	C8—C7—H7B	108.5
C41—Fe1—C35	114.7 (3)	C6—C7—H7B	108.5
C40—Fe1—C35	113.9 (3)	H7A—C7—H7B	107.5
C36—Fe1—C35	40.0 (3)	C7—C8—H8A	108.8
C38—P1—C21	100.8 (3)	C1—C8—H8A	108.8
C38—P1—C27	102.4 (3)	C7—C8—H8B	108.8
C21—P1—C27	104.6 (3)	C1—C8—H8B	108.8
C38—P1—Rh1	124.9 (2)	H8A—C8—H8B	107.7
C21—P1—Rh1	110.7 (2)	C9—C10—H10	119.8
C27—P1—Rh1	111.3 (2)	C11—C10—H10	119.8
C33—P2—C9	105.9 (3)	C12—C11—H11	120.0
C33—P2—C15	100.0 (3)	C10—C11—H11	120.0
C9—P2—C15	104.1 (3)	C11—C12—H12	120.2
C33—P2—Rh1	120.7 (2)	C13—C12—H12	120.2
C9—P2—Rh1	108.3 (2)	C12—C13—H13	119.5
C15—P2—Rh1	116.22 (19)	C14—C13—H13	119.5
C2—C1—C8	123.0 (8)	C13—C14—H14	120.4
C2—C1—Rh1	72.6 (4)	C9—C14—H14	120.4
C8—C1—Rh1	112.4 (5)	C17—C16—H16	120.2
C1—C2—C3	128.3 (7)	C15—C16—H16	120.2
C1—C2—Rh1	71.6 (4)	C18—C17—H17	119.9
C3—C2—Rh1	109.8 (5)	C16—C17—H17	119.9
C4—C3—C2	113.9 (7)	C17—C18—H18	119.8
C3—C4—C5	114.2 (7)	C19—C18—H18	119.8
C6—C5—C4	123.9 (7)	C18—C19—H19	120.1
C6—C5—Rh1	72.0 (4)	C20—C19—H19	120.1
C4—C5—Rh1	112.4 (5)	C15—C20—H20	119.7
C5—C6—C7	126.4 (7)	C19—C20—H20	119.7
C5—C6—Rh1	72.6 (4)	C21—C22—H22	119.7
C7—C6—Rh1	107.4 (5)	C23—C22—H22	119.7
C8—C7—C6	115.1 (6)	C22—C23—H23	120.3
C7—C8—C1	113.8 (7)	C24—C23—H23	120.3
C10—C9—C14	119.6 (6)	C25—C24—H24	119.7
C10—C9—P2	117.8 (5)	C23—C24—H24	119.7
C14—C9—P2	122.6 (5)	C26—C25—H25	120.3
C9—C10—C11	120.4 (7)	C24—C25—H25	120.3
C12—C11—C10	120.0 (7)	C25—C26—H26	119.7
C11—C12—C13	119.7 (7)	C21—C26—H26	119.7
C12—C13—C14	121.0 (7)	C27—C28—H28	119.5
C13—C14—C9	119.3 (7)	C29—C28—H28	119.5
C20—C15—C16	119.5 (6)	C30—C29—H29	120.0
C20—C15—P2	118.6 (5)	C28—C29—H29	120.0
C16—C15—P2	121.9 (5)	C31—C30—H30	120.3
C17—C16—C15	119.7 (6)	C29—C30—H30	120.4
C18—C17—C16	120.1 (6)	C30—C31—H31	119.3
C17—C18—C19	120.4 (6)	C32—C31—H31	119.3
C18—C19—C20	119.7 (7)	C31—C32—H32	119.8
C15—C20—C19	120.5 (6)	C27—C32—H32	119.8
C22—C21—C26	119.3 (6)	C35—C34—H34	126.0
C22—C21—P1	119.7 (5)	C33—C34—H34	126.0
C26—C21—P1	121.0 (5)	Fe1—C34—H34	126.4
C21—C22—C23	120.6 (7)	C34—C35—H35	125.7
C22—C23—C24	119.5 (7)	C36—C35—H35	125.7
C25—C24—C23	120.5 (6)	Fe1—C35—H35	127.3
C26—C25—C24	119.5 (7)	C35—C36—H36	125.9
C25—C26—C21	120.6 (7)	C37—C36—H36	125.9
C32—C27—C28	118.0 (6)	Fe1—C36—H36	127.1
C32—C27—P1	123.7 (5)	C36—C37—H37	126.2
C28—C27—P1	118.1 (5)	C33—C37—H37	126.2
C27—C28—C29	120.9 (8)	Fe1—C37—H37	126.4
C30—C29—C28	119.9 (8)	C40—C39—H39	126.0
C31—C30—C29	119.3 (7)	C38—C39—H39	126.0
C30—C31—C32	121.3 (8)	Fe1—C39—H39	126.3
C31—C32—C27	120.4 (7)	C41—C40—H40	125.8
C34—C33—C37	107.4 (5)	C39—C40—H40	125.7
C34—C33—P2	129.6 (5)	Fe1—C40—H40	127.3
C37—C33—P2	123.0 (5)	C40—C41—H41	125.6
C34—C33—Fe1	70.6 (4)	C42—C41—H41	125.6
C37—C33—Fe1	70.4 (4)	Fe1—C41—H41	127.4
P2—C33—Fe1	124.2 (3)	C41—C42—H42	126.2
C35—C34—C33	108.1 (6)	C38—C42—H42	126.2
C35—C34—Fe1	71.1 (4)	Fe1—C42—H42	125.9
C33—C34—Fe1	68.0 (4)	Cl2—C44—H44A	109.4
C34—C35—C36	108.6 (6)	Cl1—C44—H44A	109.4
C34—C35—Fe1	68.7 (4)	Cl2—C44—H44B	109.5
C36—C35—Fe1	70.0 (4)	Cl1—C44—H44B	109.5
C35—C36—C37	108.2 (6)	H44A—C44—H44B	108.0
C35—C36—Fe1	70.1 (4)	Cl4—C45—H45A	109.1
C37—C36—Fe1	68.5 (4)	Cl3—C45—H45A	109.1
C36—C37—C33	107.7 (6)	Cl4—C45—H45B	109.1
C36—C37—Fe1	71.0 (4)	Cl3—C45—H45B	109.1
C33—C37—Fe1	68.0 (3)	H45A—C45—H45B	107.8