Aqua­bis­(4-methyl­benzene­sulfonato-κO)(η⁵-penta­methyl­cyclo­penta­dien­yl)rhodium(III) monohydrate

The title half-sandwich rhodium(III) complex, [Rh(C₁₀H₁₅)(C₇H₇O₃S)₂(H₂O)]·H₂O, consists of a π-bonded penta­methyl­cyclo­penta­dienyl group, two σ-bonded tosyl­ate groups and an aqua ligand. The structure displays both inter- and intra­molecular O—H...O hydrogen bonding. The inter­molecular hydrogen bonding results in an extended helical chain along a 2₁ screw axis parallel to c, due to hydrogen bonding from the coordinating water ligand to the lattice water mol­ecule and then to a sulfonate O atom of a different asymmetric unit.

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean [sigma](C-C) = 0.007 Å
• R factor = 0.038
• wR factor = 0.086
• Data-to-parameter ratio = 13.9

checkCIF/PLATON results

No syntax errors found



Alert level B
            Crystal system given = orthorhombic
PLAT355_ALERT_3_B Long    O-H Bond (0.82A)   O7     -   H7B    ...       1.12 Ang.

Alert level C
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O4
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Rh1
PLAT314_ALERT_2_C Check Small Angle for H2O: Metal-O7     -H7A          89.54 Deg.
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......      3.594
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          2
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.595          3
PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF ....          1

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details  in the CIF          ?
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          1
PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still          49 Perc.

   0 ALERT level A = Most likely a serious problem - resolve or explain
   1 ALERT level B = A potentially serious problem, consider carefully
   7 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   3 ALERT level G = General information/check it is not something unexpected

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   3 ALERT type 2 Indicator that the structure model may be wrong or deficient
   7 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

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S1. Comment

The title compound adds to the body of organometallic compounds with water as a ligand. The empirically discovered requirement that water attached to metals must also be hydrogen-bonded either intermolecularly or intramolecularly still holds with this complex where the bonded water is H-bonded both intramolecularly to a sulfate oxygen and intermolecularly to a lattice water molecule. The hydrogen bonding creates a helical motif that runs parallel to the c-axis.

Related literature

Synthesis details are given in Boyer et al. (1996). For the structure of another pentamethylcyclopentadienylmetal bis-tosylate (CCDC: 821138), see: Zaitsev et al. (2008). For the characterization of other aquo compounds, see: Bergmeister et al. (1990; CCDC: 601561) and Luo et al. (1990; CCDC: 595047). A detailed analysis of the neutron diffaction of various mineral water structures can be found in Ferraris & Franchini-Angela (1972).

S2. Experimental

The title compound was prepared in a manner analogous to our previously reported carboxylate compounds using [(C₅Me₅)RhCl₂]₂ and silver tosylate. (Boyer et al., 1996).

S3. Refinement

1. Fixed U_iso At 1.2 times of: H23 of C23, H13 of C13, H12 of C12, H19 of C19, H15 of C15, H16 of C16, H22 of C22, H20 of C20 At 1.5 times of: {H6A,H6B,H6C} of C6, {H17A,H17B,H17C} of C17, {H24A,H24B,H24C} of C24, {H8A, H8B,H8C} of C8, {H7C,H7D,H7E} of C7, {H9A,H9B,H9C} of C9, {H10A,H10B,H10C} of C10 2.a Aromatic/amide H refined with riding coordinates: C12(H12), C13(H13), C15(H15), C16(H16), C19(H19), C20(H20), C22(H22), C23(H23) 2.b Idealized Me refined as rotating group: C6(H6A,H6B,H6C), C7(H7C,H7D,H7E), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C10(H10A, H10B,H10C), C17(H17A,H17B,H17C), C24(H24A,H24B,H24C)

Computing details

Data collection: XSCANS (Siemens, 1994); cell refinement: XSCANS (Siemens, 1994); data reduction: XSCANS (Siemens, 1994); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: OLEX2 (Dolomanov et al., 2009); software used to prepare material for publication: OLEX2 (Dolomanov et al., 2009).

Figures

	Fig. 1. An ellipsoid plot (30% probability) view of the title compound.
	Fig. 2. A view of the hydrogen-bonded helical chain that propagates parallel to the c-axis.

Aquabis(4-methylbenzenesulfonato-κO)(η⁵-pentamethylcyclopentadienyl)rhodium(III) monohydrate

Crystal data

[Rh(C10H15)(C7H7O3S)2(H2O)]·H2O	Dx = 1.526 Mg m^−3
Mr = 616.53	Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, Pbcn	Cell parameters from 50 reflections
a = 23.550 (8) Å	θ = 2–25°
b = 18.814 (7) Å	µ = 0.84 mm^−1
c = 12.114 (5) Å	T = 295 K
V = 5367 (3) Å^3	Prism, clear orange
Z = 8	0.4 × 0.4 × 0.4 mm
F(000) = 2544

Data collection

Siemens P4 diffractometer	3297 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.000
Graphite monochromator	θmax = 25.0°, θmin = 2.2°
profile data from θ/2θ scans	h = 0→28
Absorption correction: ψ scan (North et al., 1968)	k = −22→0
Tmin = 0.00, Tmax = 0.881	l = 0→14
4738 measured reflections	3 standard reflections every 200 reflections
4738 independent reflections	intensity decay: 0(1)

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.038	H atoms treated by a mixture of independent and constrained refinement
wR(F^2) = 0.086	w = 1/[σ^2(Fo^2) + (0.0322P)^2 + 3.4175P] where P = (Fo^2 + 2Fc^2)/3
S = 1.03	(Δ/σ)max = 0.001
4738 reflections	Δρmax = 0.38 e Å^−3
340 parameters	Δρmin = −0.29 e Å^−3
1 restraint	Extinction correction: SHELXL97 (Sheldrick, 2008), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.00052 (6)

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.

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	0.666388 (12)	0.645607 (15)	0.50870 (2)	0.03433 (11)
S1	0.65268 (5)	0.82532 (6)	0.52292 (9)	0.0465 (3)
S2	0.62414 (6)	0.60927 (6)	0.25074 (9)	0.0538 (3)
O1	0.62955 (11)	0.75207 (14)	0.5237 (2)	0.0451 (7)
O2	0.63499 (15)	0.86471 (18)	0.6196 (3)	0.0677 (10)
O3	0.71402 (13)	0.82661 (17)	0.5072 (3)	0.0635 (9)
O4	0.63324 (16)	0.65843 (16)	0.3441 (2)	0.0660 (10)
O5	0.67723 (16)	0.57892 (19)	0.2134 (3)	0.0802 (11)
O6	0.58036 (17)	0.55830 (19)	0.2723 (3)	0.0822 (11)
O7	0.74332 (15)	0.6962 (2)	0.4484 (3)	0.0604 (9)
H7A	0.736 (2)	0.681 (3)	0.384 (5)	0.09 (2)*
H7B	0.730 (3)	0.753 (4)	0.442 (6)	0.17 (3)*
O8	0.7836 (2)	0.6195 (3)	0.2870 (4)	0.0896 (15)
H8D	0.802 (3)	0.632 (4)	0.238 (6)	0.13 (3)*
H8E	0.754 (3)	0.602 (3)	0.252 (5)	0.09 (2)*
C1	0.6733 (2)	0.5351 (2)	0.5370 (3)	0.0510 (12)
C2	0.71567 (19)	0.5703 (2)	0.5983 (4)	0.0505 (11)
C3	0.68878 (19)	0.6193 (2)	0.6720 (3)	0.0470 (11)
C4	0.62904 (18)	0.6102 (2)	0.6596 (3)	0.0482 (11)
C5	0.6187 (2)	0.5592 (2)	0.5754 (4)	0.0512 (12)
C6	0.6836 (3)	0.4784 (3)	0.4526 (4)	0.097 (2)
H6A	0.7128	0.4937	0.4027	0.146*
H6B	0.6493	0.4697	0.4122	0.146*
H6C	0.6954	0.4355	0.4889	0.146*
C7	0.7786 (2)	0.5599 (4)	0.5867 (5)	0.097 (2)
H7C	0.7981	0.6007	0.6154	0.145*
H7D	0.7879	0.5539	0.5101	0.145*
H7E	0.7899	0.5183	0.6271	0.145*
C8	0.7184 (3)	0.6679 (3)	0.7509 (4)	0.0870 (19)
H8A	0.7038	0.7153	0.7424	0.130*
H8B	0.7584	0.6677	0.7358	0.130*
H8C	0.7119	0.6520	0.8251	0.130*
C9	0.5840 (3)	0.6498 (3)	0.7230 (5)	0.098 (2)
H9A	0.5486	0.6468	0.6841	0.147*
H9B	0.5950	0.6987	0.7303	0.147*
H9C	0.5799	0.6290	0.7949	0.147*
C10	0.5612 (2)	0.5339 (3)	0.5388 (5)	0.091 (2)
H10A	0.5641	0.5131	0.4666	0.136*
H10B	0.5354	0.5733	0.5366	0.136*
H10C	0.5474	0.4989	0.5899	0.136*
C11	0.62207 (17)	0.8673 (2)	0.4062 (3)	0.0427 (10)
C12	0.6297 (2)	0.9397 (2)	0.3923 (4)	0.0576 (12)
H12	0.6498	0.9656	0.4446	0.069*
C13	0.6074 (2)	0.9732 (3)	0.3013 (4)	0.0639 (14)
H13	0.6128	1.0219	0.2931	0.077*
C14	0.5773 (2)	0.9366 (3)	0.2217 (4)	0.0554 (12)
C15	0.5711 (2)	0.8643 (2)	0.2361 (4)	0.0571 (12)
H15	0.5512	0.8383	0.1834	0.068*
C16	0.59347 (19)	0.8292 (2)	0.3267 (4)	0.0510 (11)
H16	0.5892	0.7802	0.3338	0.061*
C17	0.5522 (2)	0.9735 (3)	0.1226 (4)	0.0834 (18)
H17A	0.5754	0.9641	0.0589	0.125*
H17B	0.5509	1.0238	0.1358	0.125*
H17C	0.5145	0.9561	0.1098	0.125*
C18	0.59902 (19)	0.6660 (2)	0.1437 (3)	0.0475 (11)
C19	0.63637 (19)	0.7094 (3)	0.0871 (4)	0.0543 (12)
H19	0.6749	0.7080	0.1035	0.065*
C20	0.6164 (2)	0.7548 (3)	0.0061 (4)	0.0591 (12)
H20	0.6419	0.7834	−0.0323	0.071*
C21	0.5590 (2)	0.7586 (3)	−0.0189 (4)	0.0584 (12)
C22	0.5227 (2)	0.7139 (3)	0.0370 (4)	0.0575 (13)
H22	0.4842	0.7148	0.0200	0.069*
C23	0.54202 (19)	0.6675 (2)	0.1184 (3)	0.0519 (12)
H23	0.5167	0.6379	0.1553	0.062*
C24	0.5368 (3)	0.8104 (3)	−0.1051 (4)	0.0871 (19)
H24A	0.5559	0.8024	−0.1739	0.131*
H24B	0.5437	0.8583	−0.0809	0.131*
H24C	0.4967	0.8034	−0.1147	0.131*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Rh1	0.03743 (17)	0.03487 (17)	0.03068 (16)	0.00144 (14)	−0.00110 (14)	0.00030 (14)
S1	0.0509 (6)	0.0401 (5)	0.0485 (6)	0.0032 (5)	−0.0098 (5)	−0.0090 (5)
S2	0.0766 (8)	0.0486 (7)	0.0362 (6)	0.0044 (6)	−0.0117 (6)	−0.0066 (5)
O1	0.0436 (16)	0.0396 (16)	0.0522 (17)	0.0031 (12)	−0.0028 (13)	0.0010 (13)
O2	0.092 (3)	0.060 (2)	0.0503 (18)	0.0172 (19)	−0.0182 (18)	−0.0173 (16)
O3	0.0477 (17)	0.0533 (18)	0.090 (2)	−0.0023 (15)	−0.0137 (18)	−0.0075 (19)
O4	0.113 (3)	0.049 (2)	0.0358 (16)	0.0138 (19)	−0.0241 (17)	−0.0100 (14)
O5	0.097 (3)	0.080 (3)	0.064 (2)	0.035 (2)	−0.008 (2)	−0.0091 (19)
O6	0.118 (3)	0.070 (2)	0.059 (2)	−0.027 (2)	−0.018 (2)	0.0126 (18)
O7	0.054 (2)	0.055 (2)	0.072 (2)	−0.0047 (17)	0.0159 (19)	0.0070 (19)
O8	0.087 (3)	0.119 (4)	0.063 (3)	0.008 (3)	0.025 (3)	−0.002 (3)
C1	0.084 (4)	0.029 (2)	0.040 (2)	0.010 (2)	−0.006 (2)	0.0060 (17)
C2	0.051 (3)	0.054 (3)	0.047 (2)	0.009 (2)	−0.007 (2)	0.015 (2)
C3	0.058 (3)	0.049 (3)	0.034 (2)	−0.010 (2)	−0.007 (2)	0.0047 (19)
C4	0.051 (3)	0.053 (3)	0.040 (2)	0.004 (2)	0.014 (2)	0.014 (2)
C5	0.055 (3)	0.052 (3)	0.047 (3)	−0.015 (2)	−0.011 (2)	0.017 (2)
C6	0.184 (7)	0.049 (3)	0.058 (3)	0.022 (4)	−0.008 (4)	−0.006 (3)
C7	0.059 (4)	0.129 (6)	0.102 (5)	0.037 (4)	0.003 (3)	0.030 (4)
C8	0.126 (5)	0.081 (4)	0.054 (3)	−0.043 (4)	−0.034 (3)	0.008 (3)
C9	0.103 (5)	0.116 (5)	0.075 (4)	0.048 (4)	0.046 (4)	0.023 (4)
C10	0.080 (4)	0.096 (4)	0.097 (4)	−0.043 (3)	−0.039 (3)	0.044 (4)
C11	0.043 (2)	0.036 (2)	0.049 (2)	−0.0010 (19)	0.0031 (19)	−0.0045 (19)
C12	0.062 (3)	0.047 (3)	0.064 (3)	−0.008 (2)	−0.006 (2)	−0.010 (2)
C13	0.074 (4)	0.043 (3)	0.074 (3)	−0.002 (3)	0.007 (3)	0.014 (3)
C14	0.051 (3)	0.065 (3)	0.050 (3)	0.002 (3)	0.008 (2)	0.011 (2)
C15	0.066 (3)	0.057 (3)	0.049 (3)	0.001 (2)	−0.011 (2)	−0.003 (2)
C16	0.063 (3)	0.034 (2)	0.055 (3)	−0.003 (2)	−0.010 (2)	−0.008 (2)
C17	0.086 (4)	0.091 (4)	0.073 (4)	−0.006 (3)	0.000 (3)	0.034 (3)
C18	0.059 (3)	0.054 (3)	0.029 (2)	0.002 (2)	−0.006 (2)	−0.0066 (19)
C19	0.045 (3)	0.070 (3)	0.047 (3)	−0.002 (2)	−0.006 (2)	−0.004 (2)
C20	0.065 (3)	0.069 (3)	0.043 (3)	−0.008 (2)	−0.002 (2)	0.004 (2)
C21	0.077 (3)	0.060 (3)	0.038 (2)	0.008 (3)	−0.008 (2)	−0.003 (2)
C22	0.052 (3)	0.073 (3)	0.047 (3)	0.009 (3)	−0.014 (2)	−0.015 (2)
C23	0.055 (3)	0.061 (3)	0.040 (2)	−0.007 (2)	−0.001 (2)	−0.008 (2)
C24	0.112 (5)	0.091 (4)	0.059 (3)	0.018 (4)	−0.021 (3)	0.010 (3)

Geometric parameters (Å, º)

Rh1—O1	2.190 (3)	C8—H8B	0.9600
Rh1—O4	2.155 (3)	C8—H8C	0.9600
Rh1—O7	2.173 (3)	C9—H9A	0.9600
Rh1—C1	2.113 (4)	C9—H9B	0.9600
Rh1—C2	2.129 (4)	C9—H9C	0.9600
Rh1—C3	2.106 (4)	C10—H10A	0.9600
Rh1—C4	2.135 (4)	C10—H10B	0.9600
Rh1—C5	2.135 (4)	C10—H10C	0.9600
S1—O1	1.482 (3)	C11—C12	1.384 (6)
S1—O2	1.447 (3)	C11—C16	1.377 (6)
S1—O3	1.457 (3)	C12—H12	0.9300
S1—C11	1.773 (4)	C12—C13	1.373 (6)
S2—O4	1.476 (3)	C13—H13	0.9300
S2—O5	1.447 (4)	C13—C14	1.382 (6)
S2—O6	1.432 (4)	C14—C15	1.380 (6)
S2—C18	1.781 (4)	C14—C17	1.507 (6)
O7—H7A	0.85 (5)	C15—H15	0.9300
O7—H7B	1.11 (8)	C15—C16	1.386 (6)
O8—H8D	0.77 (8)	C16—H16	0.9300
O8—H8E	0.88 (6)	C17—H17A	0.9600
C1—C2	1.410 (6)	C17—H17B	0.9600
C1—C5	1.439 (6)	C17—H17C	0.9600
C1—C6	1.498 (6)	C18—C19	1.382 (6)
C2—C3	1.431 (6)	C18—C23	1.377 (6)
C2—C7	1.501 (6)	C19—H19	0.9300
C3—C4	1.425 (6)	C19—C20	1.384 (6)
C3—C8	1.495 (6)	C20—H20	0.9300
C4—C5	1.422 (6)	C20—C21	1.387 (7)
C4—C9	1.506 (6)	C21—C22	1.377 (7)
C5—C10	1.501 (6)	C21—C24	1.523 (6)
C6—H6A	0.9600	C22—H22	0.9300
C6—H6B	0.9600	C22—C23	1.394 (6)
C6—H6C	0.9600	C23—H23	0.9300
C7—H7C	0.9600	C24—H24A	0.9600
C7—H7D	0.9600	C24—H24B	0.9600
C7—H7E	0.9600	C24—H24C	0.9600
C8—H8A	0.9600
O4—Rh1—O1	80.25 (11)	C1—C6—H6B	109.5
O4—Rh1—O7	86.66 (15)	C1—C6—H6C	109.5
O7—Rh1—O1	87.57 (13)	H6A—C6—H6B	109.5
C1—Rh1—O1	156.42 (15)	H6A—C6—H6C	109.5
C1—Rh1—O4	106.75 (14)	H6B—C6—H6C	109.5
C1—Rh1—O7	114.93 (17)	C2—C7—H7C	109.5
C1—Rh1—C2	38.81 (17)	C2—C7—H7D	109.5
C1—Rh1—C4	65.50 (17)	C2—C7—H7E	109.5
C1—Rh1—C5	39.60 (17)	H7C—C7—H7D	109.5
C2—Rh1—O1	141.46 (15)	H7C—C7—H7E	109.5
C2—Rh1—O4	138.06 (15)	H7D—C7—H7E	109.5
C2—Rh1—O7	90.48 (16)	C3—C8—H8A	109.5
C2—Rh1—C4	65.18 (17)	C3—C8—H8B	109.5
C2—Rh1—C5	65.60 (17)	C3—C8—H8C	109.5
C3—Rh1—O1	103.66 (15)	H8A—C8—H8B	109.5
C3—Rh1—O4	170.43 (15)	H8A—C8—H8C	109.5
C3—Rh1—O7	102.12 (16)	H8B—C8—H8C	109.5
C3—Rh1—C1	66.24 (16)	C4—C9—H9A	109.5
C3—Rh1—C2	39.49 (16)	C4—C9—H9B	109.5
C3—Rh1—C4	39.27 (16)	C4—C9—H9C	109.5
C3—Rh1—C5	66.26 (16)	H9A—C9—H9B	109.5
C4—Rh1—O1	92.95 (14)	H9A—C9—H9C	109.5
C4—Rh1—O4	132.68 (17)	H9B—C9—H9C	109.5
C4—Rh1—O7	140.18 (17)	C5—C10—H10A	109.5
C4—Rh1—C5	38.89 (17)	C5—C10—H10B	109.5
C5—Rh1—O1	117.19 (16)	C5—C10—H10C	109.5
C5—Rh1—O4	104.17 (15)	H10A—C10—H10B	109.5
C5—Rh1—O7	154.07 (17)	H10A—C10—H10C	109.5
O1—S1—C11	105.65 (18)	H10B—C10—H10C	109.5
O2—S1—O1	111.4 (2)	C12—C11—S1	118.9 (3)
O2—S1—O3	112.5 (2)	C16—C11—S1	121.6 (3)
O2—S1—C11	107.48 (19)	C16—C11—C12	119.4 (4)
O3—S1—O1	112.37 (17)	C11—C12—H12	120.0
O3—S1—C11	107.0 (2)	C13—C12—C11	120.0 (4)
O4—S2—C18	103.32 (18)	C13—C12—H12	120.0
O5—S2—O4	111.2 (2)	C12—C13—H13	119.1
O5—S2—C18	107.2 (2)	C12—C13—C14	121.8 (4)
O6—S2—O4	112.6 (2)	C14—C13—H13	119.1
O6—S2—O5	114.5 (2)	C13—C14—C17	121.9 (5)
O6—S2—C18	107.1 (2)	C15—C14—C13	117.2 (4)
S1—O1—Rh1	134.78 (17)	C15—C14—C17	120.9 (5)
S2—O4—Rh1	133.72 (19)	C14—C15—H15	119.0
Rh1—O7—H7A	89 (4)	C14—C15—C16	122.0 (4)
Rh1—O7—H7B	102 (4)	C16—C15—H15	119.0
H7A—O7—H7B	102 (5)	C11—C16—C15	119.5 (4)
H8D—O8—H8E	101 (6)	C11—C16—H16	120.3
C2—C1—Rh1	71.2 (2)	C15—C16—H16	120.3
C2—C1—C5	108.4 (4)	C14—C17—H17A	109.5
C2—C1—C6	125.4 (5)	C14—C17—H17B	109.5
C5—C1—Rh1	71.0 (2)	C14—C17—H17C	109.5
C5—C1—C6	126.1 (5)	H17A—C17—H17B	109.5
C6—C1—Rh1	127.0 (3)	H17A—C17—H17C	109.5
C1—C2—Rh1	70.0 (2)	H17B—C17—H17C	109.5
C1—C2—C3	108.5 (4)	C19—C18—S2	120.2 (3)
C1—C2—C7	126.0 (5)	C23—C18—S2	119.9 (4)
C3—C2—Rh1	69.4 (2)	C23—C18—C19	119.9 (4)
C3—C2—C7	125.4 (5)	C18—C19—H19	120.0
C7—C2—Rh1	125.3 (3)	C18—C19—C20	120.0 (4)
C2—C3—Rh1	71.1 (2)	C20—C19—H19	120.0
C2—C3—C8	125.9 (5)	C19—C20—H20	119.4
C4—C3—Rh1	71.5 (2)	C19—C20—C21	121.1 (5)
C4—C3—C2	107.1 (4)	C21—C20—H20	119.4
C4—C3—C8	127.0 (5)	C20—C21—C24	121.2 (5)
C8—C3—Rh1	125.0 (3)	C22—C21—C20	117.9 (4)
C3—C4—Rh1	69.3 (2)	C22—C21—C24	120.9 (5)
C3—C4—C9	125.5 (5)	C21—C22—H22	119.1
C5—C4—Rh1	70.6 (2)	C21—C22—C23	121.8 (4)
C5—C4—C3	109.0 (4)	C23—C22—H22	119.1
C5—C4—C9	125.4 (5)	C18—C23—C22	119.2 (4)
C9—C4—Rh1	124.9 (3)	C18—C23—H23	120.4
C1—C5—Rh1	69.4 (2)	C22—C23—H23	120.4
C1—C5—C10	127.6 (5)	C21—C24—H24A	109.5
C4—C5—Rh1	70.6 (2)	C21—C24—H24B	109.5
C4—C5—C1	106.9 (4)	C21—C24—H24C	109.5
C4—C5—C10	125.5 (5)	H24A—C24—H24B	109.5
C10—C5—Rh1	127.2 (3)	H24A—C24—H24C	109.5
C1—C6—H6A	109.5	H24B—C24—H24C	109.5

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O7—H7A···O8	0.85 (5)	1.99 (6)	2.608 (6)	128 (5)
O7—H7B···O3	1.11 (8)	1.64 (8)	2.647 (5)	147 (7)
O8—H8D···O2^i	0.77 (8)	2.06 (8)	2.807 (6)	162 (8)
O8—H8E···O5	0.88 (6)	1.91 (6)	2.766 (7)	162 (6)

Symmetry code: (i) −x+3/2, −y+3/2, z−1/2.