Bis(η⁴-cyclo­octa-1,5-diene)­rhodium(I) tri­fluoro­methane­sulfonate

The crystal structure of the title compound, [Rh(C₈H₁₂)₂](CF₃SO₃), consists of [(C₈H₁₂)₂Rh]⁺ cations and F₃CSO₃⁻ anions. The cyclo­octa-1,5-diene ligands are chelated to the central metal atom to create a coordination geometry about rhodium which is essentially square planar.

Key indicators

• Single-crystal X-ray study
• T = 203 K
• Mean [sigma](C-C) = 0.019 Å
• R factor = 0.058
• wR factor = 0.154
• Data-to-parameter ratio = 14.5

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



PLAT_711  Alert C BOND    Unknown or Inconsistent Label ........       (1,2)
                           RH1    (1,2)

PLAT_711  Alert C BOND    Unknown or Inconsistent Label ........       (1,2)
                           RH1    (1,2)

PLAT_711  Alert C BOND    Unknown or Inconsistent Label ........       (5,6)
                           RH1    (5,6)

PLAT_711  Alert C BOND    Unknown or Inconsistent Label ........       (5,6)
                           RH1    (5,6)

PLAT_711  Alert C BOND    Unknown or Inconsistent Label ........       (9,10)
                           RH2    (9,10)

PLAT_711  Alert C BOND    Unknown or Inconsistent Label ........       (9,10)
                           RH2    (9,10)

PLAT_711  Alert C BOND    Unknown or Inconsistent Label ........       (13,14)
                           RH2    (13,14)

PLAT_711  Alert C BOND    Unknown or Inconsistent Label ........       (13,14)
                           RH2    (13,14)

PLAT_712  Alert C ANGLE   Unknown or Inconsistent Label ........       (1,2)
                           (1,2)  RH1    (1,2)

PLAT_712  Alert C ANGLE   Unknown or Inconsistent Label ........       (1,2)
                           (1,2)  RH1    (5,6)

PLAT_712  Alert C ANGLE   Unknown or Inconsistent Label ........       (1,2)
                           (1,2)  RH1    (5,6)

PLAT_712  Alert C ANGLE   Unknown or Inconsistent Label ........       (1,2)
                           (1,2)  RH1    (5,6)

PLAT_712  Alert C ANGLE   Unknown or Inconsistent Label ........       (1,2)
                           (1,2)  RH1    (5,6)

PLAT_712  Alert C ANGLE   Unknown or Inconsistent Label ........       (5,6)
                           (5,6)  RH1    (5,6)

PLAT_712  Alert C ANGLE   Unknown or Inconsistent Label ........       (9,10)
                           (9,10) RH2    (13,14)

PLAT_712  Alert C ANGLE   Unknown or Inconsistent Label ........       (9,10)
                           (9,10) RH2    (9,10)

PLAT_712  Alert C ANGLE   Unknown or Inconsistent Label ........       (9,10)
                           (9,10) RH2    (13,14)

PLAT_712  Alert C ANGLE   Unknown or Inconsistent Label ........       (9,10)
                           (9,10) RH2    (13,14)

PLAT_712  Alert C ANGLE   Unknown or Inconsistent Label ........       (9,10)
                           (9,10) RH2    (13,14)

PLAT_712  Alert C ANGLE   Unknown or Inconsistent Label ........       (13,14)
                           (13,14)RH2    (13,14)


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 20 Alert Level C = Please check

---

S1. Comment

The title compound, (I), and related complexes containing BF₄^-, PF₆^-, SbF₆^- or ClO₄^- anions (Green et al., 1970, 1971; Schenck et al., 1985; Schrock & Osborn, 1971; Uson et al., 1976) are frequently used as precursors of chiral chelate phosphine-substituted derivatives [(C₈H₁₂)RhL₂]X which have wide application as catalysts for asymmetric hydrogenation reactions (e.g. Burk et al., 1993; Dahlenburg & Eckert, 1998; Dahlenburg & Kurth, 1999). The structure of (I) consists of two discrete [(C₈H₁₂)₂Rh]⁺ cations lying on special positions 4 e (site symmetry 2; molecule 1) and 4 b (site symmetry 1; molecule 2) of the C-centered monoclinic unit cell, in addition to one F₃CSO₃^- anion in a general position. The chelating cyclooctadiene ligands are π-bonded to the central metal in an essentially square-planar fashion, as anticipated. The range of interatomic distances spanned by the rhodium-to-carbon bonds, 2.240 (8)–2.263 (8) Å in molecule 1 and 2.205 (11)–2.269 (12) Å in molecule 2, compares well to that previously found for [(C₈H₁₂)₂Rh][(µ-Cl)₃{Re(CO)₃}₂] [Rh—C 2.198 (10)–2.254 (14) Å; Baenziger et al., 1991], which appears to be the only other example of a crystallographically characterized [(C₈H₁₂)₂Rh]⁺ complex salt contained in the Cambridge Structural Database (Allen & Kennard, 1993). The trifluoromethanesulfonate counter-ion adopts the expected staggered conformation.

S2. Experimental

[C₈H₁₂)₂Rh](O₃SCF₃) was prepared according to published procedures (Burk et al., 1993; Schenck et al., 1985; Schrock & Osborn, 1971). Single crystals were grown from dichloromethane/pentane.

S3. Refinement

All non-H atoms were located by direct methods and subsequent alternate cycles of difference Fourier synthesis and full matrix least-squares refinement. The resulting structural model was refined to convergence with allowance for anisotropic thermal motion of the non-H atoms. H atoms were included in geometrically idealized positions employing appropriate riding models with isotropic displacement parameters constrained to 1.2U_eq of their carrier atoms. The high U_eq values observed for some of the C atoms of the cyclooctadiene ligands and the F and O atoms of the trifluoromethanesulfonate anion are associated with thermal motion of the rings and the respective CF₃ and SO₃ units of the anion. Several approaches at refining the structural model using split occupancies were attempted but the suspected disorder could not plausibly be resolved. As artificially short Csp³—Csp³ distances resulted for the bonds between C3 and C4 and, respectively, C11 and C12, these bond lengths were restrained to a more sensible target value of 1.50 (2) Å during the final cycles. The highest peaks and deepest holes in the final difference map were located at distances less than 1.3 Å from the heavy metal atom.

Computing details

Data collection: CAD-4 EXPRESS (Enraf Nonius, 1994); cell refinement: CAD-4 EXPRESS; data reduction: XCAD4 (Harms & Wocadlo, 1995); program(s) used to solve structure: SIR97 (Altomare et al., 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3(Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).

Figures

Fig. 1. View of (I) (40% probability displacement ellipsoids); operators used for generating equivalent atoms _2 and _3 are (2 - x, y, 3/2 - z) and (-x, 1 - y, -z), respectively.

Bis(η⁴-cycloocta-1,5-diene)rhodium(I)trifluoromethanesulfonate

Crystal data

[Rh(C8H12)2](CF3SO3)	F(000) = 1904
Mr = 468.33	Dx = 1.699 Mg m^−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
a = 14.072 (2) Å	Cell parameters from 25 reflections
b = 17.617 (2) Å	θ = 7.4–11.8°
c = 14.840 (2) Å	µ = 1.09 mm^−1
β = 95.425 (9)°	T = 203 K
V = 3662.5 (8) Å^3	Block, orange
Z = 8	0.23 × 0.18 × 0.18 mm

Data collection

Nonius CAD-4 MACH3 diffractometer	Rint = 0.055
non–profiled ω scans	θmax = 25.2°, θmin = 2.2°
Absorption correction: ψ scan (North et al., 1968)	h = −16→16
Tmin = 0.788, Tmax = 0.828	k = 0→21
7359 measured reflections	l = 0→17
3300 independent reflections	3 standard reflections every 60 min
2158 reflections with I > 2σ(I)	intensity decay: none

Refinement

Refinement on F^2	2 restraints
Least-squares matrix: full	H-atom parameters constrained
R[F^2 > 2σ(F^2)] = 0.058	w = 1/[σ^2(Fo^2) + (0.0723P)^2 + 12.5891P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.154	(Δ/σ)max = 0.001
S = 1.02	Δρmax = 0.79 e Å^−3
3300 reflections	Δρmin = −1.02 e Å^−3
228 parameters

Special details

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.

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
Rh1	1	0.12391 (4)	0.75	0.0370 (2)
Rh2	0.5	0	0.5	0.0531 (3)
S1	0.75874 (16)	0.38713 (15)	0.71469 (16)	0.0636 (6)
F1	0.6929 (9)	0.3262 (8)	0.8527 (6)	0.210 (6)
F2	0.7068 (8)	0.2528 (5)	0.7466 (11)	0.238 (7)
F3	0.5973 (5)	0.3274 (7)	0.7415 (7)	0.183 (5)
O1	0.7363 (8)	0.3789 (10)	0.6256 (6)	0.221 (8)
O2	0.7373 (7)	0.4564 (5)	0.7574 (9)	0.156 (5)
O3	0.8530 (4)	0.3660 (4)	0.7434 (5)	0.0740 (18)
C1	0.9705 (7)	0.2074 (5)	0.8579 (6)	0.062 (2)
H1	0.9357	0.2376	0.8141	0.074*
C2	1.0661 (7)	0.2045 (5)	0.8546 (5)	0.057 (2)
H2	1.09	0.2317	0.8071	0.069*
C3	1.1381 (8)	0.1640 (6)	0.9163 (8)	0.082 (3)
H3A	1.201	0.1851	0.9077	0.099*
H3B	1.1252	0.1753	0.9787	0.099*
C4	1.1431 (10)	0.0825 (7)	0.9067 (11)	0.140 (7)
H4A	1.1497	0.0608	0.9677	0.168*
H4B	1.2023	0.0711	0.8796	0.168*
C5	1.0664 (7)	0.0414 (5)	0.8546 (6)	0.063 (2)
H5	1.086	0.0095	0.8092	0.075*
C6	0.9719 (7)	0.0422 (5)	0.8618 (6)	0.060 (2)
H6	0.9318	0.0141	0.82	0.072*
C7	0.9281 (12)	0.0860 (9)	0.9336 (10)	0.156 (8)
H7A	0.8651	0.0641	0.9398	0.187*
H7B	0.9671	0.0771	0.9909	0.187*
C8	0.9159 (8)	0.1681 (7)	0.9232 (8)	0.093 (4)
H8A	0.932	0.1915	0.9826	0.111*
H8B	0.848	0.178	0.9062	0.111*
C9	0.5166 (13)	0.1213 (6)	0.4686 (9)	0.093 (5)
H9	0.5476	0.1075	0.4177	0.112*
C10	0.4217 (14)	0.1102 (6)	0.4648 (8)	0.102 (5)
H10	0.3938	0.087	0.4117	0.122*
C11	0.3581 (10)	0.1289 (8)	0.5305 (15)	0.136 (7)
H11A	0.293	0.1258	0.5009	0.164*
H11B	0.3695	0.182	0.5478	0.164*
C12	0.3618 (12)	0.0846 (13)	0.6123 (9)	0.180 (10)
H12A	0.3011	0.0573	0.6124	0.216*
H12B	0.3658	0.1199	0.6635	0.216*
C13	0.4382 (8)	0.0297 (6)	0.6285 (6)	0.070 (3)
H13	0.4187	−0.0213	0.6297	0.084*
C14	0.5319 (6)	0.0409 (5)	0.6420 (5)	0.053 (2)
H14	0.5708	−0.0019	0.6544	0.064*
C15	0.5801 (11)	0.1162 (8)	0.6390 (8)	0.120 (6)
H15A	0.6473	0.1098	0.6618	0.144*
H15B	0.5512	0.1505	0.6807	0.144*
C16	0.5764 (9)	0.1541 (8)	0.5480 (13)	0.130 (6)
H16A	0.5547	0.2064	0.5558	0.156*
H16B	0.642	0.1572	0.5314	0.156*
C17	0.6856 (9)	0.3192 (7)	0.7708 (10)	0.095 (4)
(1,2)	1.0183	0.2060	0.8562	0.0*	0
(5,6)	1.0192	0.0418	0.8582	0.0*	0
(9,10)	0.4692	0.1158	0.4667	0.0*	0
(13,14)	0.4851	0.0353	0.6353	0.0*	0

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Rh1	0.0319 (5)	0.0317 (4)	0.0477 (5)	0	0.0061 (4)	0
Rh2	0.0717 (7)	0.0552 (6)	0.0317 (4)	0.0099 (5)	0.0014 (4)	0.0090 (4)
S1	0.0457 (13)	0.0835 (16)	0.0616 (13)	0.0230 (12)	0.0047 (11)	0.0085 (11)
F1	0.252 (13)	0.286 (14)	0.099 (6)	−0.161 (12)	0.049 (7)	0.014 (8)
F2	0.155 (9)	0.079 (5)	0.49 (2)	−0.042 (6)	0.101 (11)	−0.071 (10)
F3	0.035 (4)	0.277 (13)	0.238 (11)	−0.030 (6)	0.013 (5)	−0.013 (10)
O1	0.109 (8)	0.49 (2)	0.063 (5)	−0.090 (12)	−0.024 (5)	0.025 (9)
O2	0.110 (7)	0.067 (5)	0.308 (14)	0.029 (5)	0.106 (9)	0.005 (7)
O3	0.049 (4)	0.076 (4)	0.094 (5)	0.010 (3)	−0.008 (3)	−0.004 (4)
C1	0.063 (6)	0.066 (5)	0.053 (5)	0.023 (5)	−0.005 (5)	−0.014 (4)
C2	0.072 (7)	0.055 (5)	0.046 (4)	−0.017 (5)	0.010 (4)	−0.002 (4)
C3	0.057 (6)	0.090 (8)	0.094 (7)	0.009 (6)	−0.019 (6)	−0.021 (6)
C4	0.085 (9)	0.114 (11)	0.200 (16)	−0.021 (8)	−0.088 (10)	0.064 (11)
C5	0.069 (7)	0.046 (5)	0.075 (6)	0.009 (4)	0.015 (5)	0.023 (4)
C6	0.051 (6)	0.057 (5)	0.075 (6)	−0.005 (4)	0.012 (5)	0.023 (4)
C7	0.157 (14)	0.162 (14)	0.167 (14)	0.097 (12)	0.111 (12)	0.114 (12)
C8	0.063 (7)	0.131 (10)	0.090 (7)	−0.019 (7)	0.037 (6)	−0.045 (7)
C9	0.157 (14)	0.052 (6)	0.081 (7)	0.034 (8)	0.067 (9)	0.029 (6)
C10	0.166 (15)	0.069 (7)	0.059 (6)	0.015 (9)	−0.056 (9)	0.002 (5)
C11	0.069 (9)	0.083 (9)	0.26 (2)	0.024 (7)	0.009 (12)	−0.024 (12)
C12	0.129 (14)	0.32 (3)	0.085 (9)	0.131 (17)	−0.014 (10)	−0.064 (14)
C13	0.081 (8)	0.083 (7)	0.048 (5)	−0.006 (6)	0.017 (5)	−0.013 (5)
C14	0.053 (6)	0.063 (5)	0.041 (4)	0.003 (4)	−0.004 (4)	−0.002 (4)
C15	0.152 (13)	0.133 (11)	0.085 (8)	−0.085 (10)	0.059 (8)	−0.056 (8)
C16	0.059 (8)	0.088 (9)	0.24 (2)	−0.002 (7)	0.026 (10)	0.071 (11)
C17	0.063 (8)	0.090 (9)	0.134 (11)	−0.028 (6)	0.021 (7)	−0.039 (8)

Geometric parameters (Å, º)

Rh1—C2	2.240 (8)	C3—C4	1.445 (13)
Rh1—C2^i	2.240 (8)	C3—H3A	0.98
Rh1—C1	2.242 (8)	C3—H3B	0.98
Rh1—C1^i	2.242 (8)	C4—C5	1.459 (14)
Rh1—C6^i	2.259 (8)	C4—H4A	0.98
Rh1—C6	2.259 (8)	C4—H4B	0.98
Rh1—C5^i	2.263 (8)	C5—C6	1.343 (12)
Rh1—C5	2.263 (8)	C5—H5	0.94
Rh1—(1,2)	2.137	C6—C7	1.495 (17)
Rh1—(1,2)^i	2.137	C6—H6	0.94
Rh1—(5,6)	2.159	C7—C8	1.463 (17)
Rh1—(5,6)^i	2.159	C7—H7A	0.98
Rh2—C9	2.205 (11)	C7—H7B	0.98
Rh2—C9^ii	2.205 (11)	C8—H8A	0.98
Rh2—C13^ii	2.232 (9)	C8—H8B	0.98
Rh2—C13	2.232 (9)	C9—C10	1.345 (19)
Rh2—C14^ii	2.233 (7)	C9—C16	1.497 (19)
Rh2—C14	2.233 (7)	C9—H9	0.94
Rh2—C10	2.269 (12)	C10—C11	1.42 (2)
Rh2—C10^ii	2.269 (12)	C10—H10	0.94
Rh2—(9,10)	2.134	C11—C12	1.440 (15)
Rh2—(9,10)^ii	2.134	C11—H11A	0.98
Rh2—(13,14)	2.131	C11—H11B	0.98
Rh2—(13,14)^ii	2.131	C12—C13	1.450 (17)
S1—O1	1.337 (9)	C12—H12A	0.98
S1—O3	1.405 (6)	C12—H12B	0.98
S1—O2	1.421 (9)	C13—C14	1.330 (12)
S1—C17	1.829 (13)	C13—H13	0.94
F1—C17	1.215 (14)	C14—C15	1.493 (13)
F2—C17	1.268 (14)	C14—H14	0.94
F3—C17	1.286 (14)	C15—C16	1.503 (17)
C1—C2	1.351 (12)	C15—H15A	0.98
C1—C8	1.467 (14)	C15—H15B	0.98
C1—H1	0.94	C16—H16A	0.98
C2—C3	1.483 (13)	C16—H16B	0.98
C2—H2	0.94
C2—Rh1—C2^i	101.3 (5)	C2—C3—H3A	108.1
C2—Rh1—C1	35.1 (3)	C4—C3—H3B	108.1
C2^i—Rh1—C1	89.2 (3)	C2—C3—H3B	108.1
C2—Rh1—C1^i	89.2 (3)	H3A—C3—H3B	107.3
C2^i—Rh1—C1^i	35.1 (3)	C3—C4—C5	120.3 (9)
C1—Rh1—C1^i	97.9 (5)	C3—C4—H4A	107.2
C2—Rh1—C6^i	145.4 (4)	C5—C4—H4A	107.2
C2^i—Rh1—C6^i	89.1 (3)	C3—C4—H4B	107.2
C1—Rh1—C6^i	178.3 (4)	C5—C4—H4B	107.2
C1^i—Rh1—C6^i	80.6 (3)	H4A—C4—H4B	106.9
C2—Rh1—C6	89.1 (3)	C6—C5—C4	129.9 (12)
C2^i—Rh1—C6	145.4 (4)	C6—C5—Rh1	72.6 (5)
C1—Rh1—C6	80.6 (3)	C4—C5—Rh1	106.3 (6)
C1^i—Rh1—C6	178.3 (4)	C6—C5—H5	115.1
C6^i—Rh1—C6	100.9 (5)	C4—C5—H5	115.1
C2—Rh1—C5^i	179.4 (3)	Rh1—C5—H5	91.3
C2^i—Rh1—C5^i	79.3 (3)	C5—C6—C7	122.7 (11)
C1—Rh1—C5^i	145.0 (4)	C5—C6—Rh1	72.9 (5)
C1^i—Rh1—C5^i	91.4 (3)	C7—C6—Rh1	107.9 (6)
C6^i—Rh1—C5^i	34.6 (3)	C5—C6—H6	118.7
C6—Rh1—C5^i	90.3 (3)	C7—C6—H6	118.7
C2—Rh1—C5	79.3 (3)	Rh1—C6—H6	89.2
C2^i—Rh1—C5	179.4 (3)	C8—C7—C6	119.1 (9)
C1—Rh1—C5	91.4 (3)	C8—C7—H7A	107.5
C1^i—Rh1—C5	145.0 (4)	C6—C7—H7A	107.5
C6^i—Rh1—C5	90.3 (3)	C8—C7—H7B	107.5
C6—Rh1—C5	34.6 (3)	C6—C7—H7B	107.5
C5^i—Rh1—C5	100.1 (5)	H7A—C7—H7B	107
(1,2)—Rh1—(1,2)^i	94.82	C7—C8—C1	118.2 (9)
(1,2)—Rh1—(5,6)^i	179.43	C7—C8—H8A	107.8
(1,2)—Rh1—(5,6)	84.64	C1—C8—H8A	107.8
(1,2)^i—Rh1—(5,6)^i	84.64	C7—C8—H8B	107.8
(1,2)^i—Rh1—(5,6)	179.43	C1—C8—H8B	107.8
(5,6)—Rh1—(5,6)^i	95.89	H8A—C8—H8B	107.1
C9—Rh2—C9^ii	180.0000 (10)	C10—C9—C16	124.8 (11)
C9—Rh2—C13^ii	89.4 (4)	C10—C9—Rh2	75.1 (8)
C9^ii—Rh2—C13^ii	90.6 (4)	C16—C9—Rh2	105.7 (7)
C9—Rh2—C13	90.6 (4)	C10—C9—H9	117.6
C9^ii—Rh2—C13	89.4 (4)	C16—C9—H9	117.6
C13^ii—Rh2—C13	180.0000 (10)	Rh2—C9—H9	89.2
C9—Rh2—C14^ii	97.4 (4)	C9—C10—C11	128.6 (12)
C9^ii—Rh2—C14^ii	82.6 (4)	C9—C10—Rh2	69.9 (8)
C13^ii—Rh2—C14^ii	34.7 (3)	C11—C10—Rh2	111.3 (9)
C13—Rh2—C14^ii	145.3 (3)	C9—C10—H10	115.7
C9—Rh2—C14	82.6 (4)	C11—C10—H10	115.7
C9^ii—Rh2—C14	97.4 (4)	Rh2—C10—H10	88.7
C13^ii—Rh2—C14	145.3 (3)	C10—C11—C12	118.5 (11)
C13—Rh2—C14	34.7 (3)	C10—C11—H11A	107.7
C14^ii—Rh2—C14	180.0000 (10)	C12—C11—H11A	107.7
C9—Rh2—C10	35.0 (5)	C10—C11—H11B	107.7
C9^ii—Rh2—C10	145.0 (5)	C12—C11—H11B	107.7
C13^ii—Rh2—C10	102.9 (5)	H11A—C11—H11B	107.1
C13—Rh2—C10	77.1 (5)	C11—C12—C13	118.0 (12)
C14^ii—Rh2—C10	90.5 (4)	C11—C12—H12A	107.8
C14—Rh2—C10	89.5 (4)	C13—C12—H12A	107.8
C9—Rh2—C10^ii	145.0 (5)	C11—C12—H12B	107.8
C9^ii—Rh2—C10^ii	35.0 (5)	C13—C12—H12B	107.8
C13^ii—Rh2—C10^ii	77.1 (5)	H12A—C12—H12B	107.2
C13—Rh2—C10^ii	102.9 (5)	C14—C13—C12	129.5 (13)
C14^ii—Rh2—C10^ii	89.5 (4)	C14—C13—Rh2	72.7 (5)
C14—Rh2—C10^ii	90.5 (4)	C12—C13—Rh2	110.9 (8)
C10—Rh2—C10^ii	180.0000 (10)	C14—C13—H13	115.3
(9,10)—Rh2—(13,14)	84.46	C12—C13—H13	115.3
(9,10)—Rh2—(9,10)^ii	180.00	Rh2—C13—H13	86
(9,10)—Rh2—(13,14)^iii	95.54	C13—C14—C15	125.0 (10)
(9,10)^iii—Rh2—(13,14)	95.54	C13—C14—Rh2	72.6 (5)
(9,10)^iv—Rh2—(13,14)^iii	84.46	C15—C14—Rh2	108.1 (6)
(13,14)—Rh2—(13,14)^iii	180.00	C13—C14—H14	117.5
O1—S1—O3	113.6 (7)	C15—C14—H14	117.5
O1—S1—O2	119.5 (9)	Rh2—C14—H14	89.3
O3—S1—O2	109.1 (6)	C14—C15—C16	116.4 (10)
O1—S1—C17	106.8 (7)	C14—C15—H15A	108.2
O3—S1—C17	104.1 (5)	C16—C15—H15A	108.2
O2—S1—C17	101.9 (6)	C14—C15—H15B	108.2
C2—C1—C8	126.3 (9)	C16—C15—H15B	108.2
C2—C1—Rh1	72.4 (5)	H15A—C15—H15B	107.3
C8—C1—Rh1	107.8 (6)	C9—C16—C15	120.3 (10)
C2—C1—H1	116.9	C9—C16—H16A	107.2
C8—C1—H1	116.9	C15—C16—H16A	107.2
Rh1—C1—H1	89.8	C9—C16—H16B	107.2
C1—C2—C3	128.3 (9)	C15—C16—H16B	107.2
C1—C2—Rh1	72.5 (5)	H16A—C16—H16B	106.9
C3—C2—Rh1	109.7 (6)	F1—C17—F2	112.1 (17)
C1—C2—H2	115.8	F1—C17—F3	108.3 (13)
C3—C2—H2	115.8	F2—C17—F3	104.6 (12)
Rh1—C2—H2	87.6	F1—C17—S1	113.0 (9)
C4—C3—C2	117.0 (9)	F2—C17—S1	108.5 (10)
C4—C3—H3A	108.1	F3—C17—S1	109.9 (11)

Symmetry codes: (i) −x+2, y, −z+3/2; (ii) −x+1, −y, −z+1; (iii) −x, −y+1, −z; (iv) −x, −y, −z+1.