Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807031790/dn2210sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536807031790/dn2210Isup2.hkl |
CCDC reference: 657522
Key indicators
- Single-crystal X-ray study
- T = 173 K
- Mean (C-C) = 0.008 Å
- R factor = 0.051
- wR factor = 0.139
- Data-to-parameter ratio = 13.6
checkCIF/PLATON results
No syntax errors found
Alert level B PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C40 PLAT432_ALERT_2_B Short Inter X...Y Contact O15 .. C52 .. 2.81 Ang. PLAT432_ALERT_2_B Short Inter X...Y Contact O15 .. C53 .. 2.87 Ang.
Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for S3 - O15 .. 5.03 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Rh3 - O13 .. 9.21 su PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C2 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for S3 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C15 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C16 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C39 PLAT369_ALERT_2_C Long C(sp2)-C(sp2) Bond C1 - C1_a ... 1.53 Ang. PLAT369_ALERT_2_C Long C(sp2)-C(sp2) Bond C13 - C14 ... 1.54 Ang. PLAT369_ALERT_2_C Long C(sp2)-C(sp2) Bond C37 - C38 ... 1.55 Ang.
0 ALERT level A = In general: serious problem 3 ALERT level B = Potentially serious problem 10 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 13 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
For similar dinuclear oxalate complexes, see: Bottomley et al. (1981); Yan et al. (1997); Grotjahn et al. (2000); Govindaswamy et al. (2006); Dale & Elsegood (2006); Govindaswamy et al. (2007). For (η5-Cp*)Rh(O3SCF3) derivatives, see: Herberich & Ganter (2001); Han & Lee (2003).
[(µ-C2O4){(η5-Cp*)RhCl}2] is disolved in chloroform followed by addition of AgO3SCF3, and crystals suitable for X-ray diffraction analysis are obtained by slow evaporation of the chloroform solution.
1H NMR (200 MHz, CDCl3): δ (p.p.m.) = 1.69 (s, 30H, C5Me5); IR (CDCl3, cm-1): 2254(s), 1625(s) (CO).
The H atoms were included in calculated positions and refined using a riding model, with C—H = 0.96 Å and with Uiso(H) = 1.5 times Ueq(C). Residual electron density greater than 1 e Å-3 is located at 1.1 Å from O(13).
Recently, we synthesized cationic trigonal metalloprisms of the type [(η5-Cp*)6M6(µ-tpt)2(µ-C2O4)3]6+ (M = Rh, Ir) containing bridging oxalato (C2O42-) ligands and 2,4,6-tri(pyridine-4-yl)-1,3,5-triazine (tpt) tritopic subunits (Govindaswamy et al., 2007). The synthesis involves the reaction of the chloro precursor [(µ-C2O4){(η5-Cp*)MCl}2] with AgO3SCF3 to give AgCl and an intermediate supposed to be the trifluoromethanesulfonate salt of the coordinativelly unsaturated cation [(µ-C2O4){(η5-Cp*)M}2]2+. We now isolated this compound and found a neutral di-trifluoromethanesulfonato complex. We present here the single X-ray structure analysis of the trifluoromethanesulfonate rhodium complex, [(µ-C2O4){(η5-Cp*)Rh(O3SCF3)}2] (1).
There are two and a half independent molecules in the asymmetric unit, among which, one possesses an inversion center (1 A) whereas the two other (1B) and (1 C) are located around general positions(Fig. 1). In all cases, the rhodium atoms are in a slightly distorted octahedral geometry and surrounded by a η5-C5Me5 ligand, an oxygen atom of a trifluoromethanesulfonato ligand and two oxygen atoms of an oxalato ligand. The dianionic C2O42- bridging ligand connects the two metals through its four oxygen atoms. The metal-metal distances are comparable in 1 A and 1B, 5.5157 (8) and 5.5183 (6) Å, respectively, but slightly longer in 1 C, 5.5389 (6) Å. These metal-metal separations are comparable to those found in other oxalato bridged dinuclear M(arene) or M(Cp*) complexes (range 5.48 - 5.63 Å) (Bottomley et al., 1981), (Yan et al., 1997), (Grotjahn et al., 2000), (Dale & Elsegood, 2006), (Govindaswamy et al., 2006), (Govindaswamy et al., 2007).
In all crystallographically independent dinuclear complexes 1 A, 1B and 1 C, the trifluoromethanesulfonato ligands are trans oriented with respect to each other. The geometrical parameters of the three independent molecules are similar. However, in 1B, the S—O bond of the coordinated oxygen atom O(13) is not longer [1.430 (4) Å] than the two S—O bonds of the non-coordinated oxygen atoms [1.435 (4) and 1.442 (5) Å] and the corresponding Rh(3)—O(13) distance [2.229 (4) Å] is significantly longer than the other metal-oxygen distances, ranging from 2.191 (4) to 2.205 (4) Å. Nevertheless, these metal-oxygen distances remain longer than the one observed in other Cp*Rh(O3SCF3) derivatives (Herberich & Ganter, 2001; Han & Lee, 2003).
For similar dinuclear oxalate complexes, see: Bottomley et al. (1981); Yan et al. (1997); Grotjahn et al. (2000); Govindaswamy et al. (2006); Dale & Elsegood (2006); Govindaswamy et al. (2007). For (η5-Cp*)Rh(O3SCF3) derivatives, see: Herberich & Ganter (2001); Han & Lee (2003).
Data collection: EXPOSE in IPDS Software (Stoe & Cie, 2000); cell refinement: CELL in IPDS Software; data reduction: INTEGRATE in IPDS Software; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-32 (Farrugia, 1997); software used to prepare material for publication: SHELXL97.
Fig. 1. The molecular structure of 1 A, 1B and 1 C. Displacement ellipsoids are drawn at the 30% probability level. H atoms have been omitted for clarity. |
[Rh(CF3O3S)2(C10H15)2(C2O4)] | F(000) = 8600 |
Mr = 862.42 | Dx = 1.856 Mg m−3 |
Orthorhombic, Pbca | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ac 2ab | Cell parameters from 54500 reflections |
a = 14.5462 (5) Å | θ = 1.4–25.7° |
b = 25.5247 (9) Å | µ = 1.29 mm−1 |
c = 41.5719 (12) Å | T = 173 K |
V = 15435.1 (9) Å3 | Block, orange |
Z = 20 | 0.14 × 0.12 × 0.07 mm |
Stoe IPDS diffractometer | 9348 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.081 |
Graphite monochromator | θmax = 25.2°, θmin = 1.6° |
Detector resolution: 0.81 pixels mm-1 | h = −17→17 |
φ oscillation scans | k = −30→30 |
96861 measured reflections | l = −49→49 |
13761 independent reflections |
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)] = 0.051 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.139 | H-atom parameters constrained |
S = 0.92 | w = 1/[σ2(Fo2) + (0.093P)2] where P = (Fo2 + 2Fc2)/3 |
13761 reflections | (Δ/σ)max = 0.001 |
1014 parameters | Δρmax = 1.57 e Å−3 |
0 restraints | Δρmin = −1.34 e Å−3 |
[Rh(CF3O3S)2(C10H15)2(C2O4)] | V = 15435.1 (9) Å3 |
Mr = 862.42 | Z = 20 |
Orthorhombic, Pbca | Mo Kα radiation |
a = 14.5462 (5) Å | µ = 1.29 mm−1 |
b = 25.5247 (9) Å | T = 173 K |
c = 41.5719 (12) Å | 0.14 × 0.12 × 0.07 mm |
Stoe IPDS diffractometer | 9348 reflections with I > 2σ(I) |
96861 measured reflections | Rint = 0.081 |
13761 independent reflections |
R[F2 > 2σ(F2)] = 0.051 | 0 restraints |
wR(F2) = 0.139 | H-atom parameters constrained |
S = 0.92 | Δρmax = 1.57 e Å−3 |
13761 reflections | Δρmin = −1.34 e Å−3 |
1014 parameters |
Experimental. A crystal was mounted at 173 K on a Stoe Image Plate Diffraction System (Stoe & Cie, 2000) using Mo Kα graphite monochromated radiation. Image plate distance 70 mm, φ oscillation scans 0 - 200°, step Δφ = 0.5°, 10 minutes per frame. |
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 | ||
C1 | 1.0315 (3) | 0.5081 (2) | −0.01389 (12) | 0.0391 (12) | |
C2 | 1.1640 (5) | 0.3147 (3) | 0.01750 (16) | 0.0588 (16) | |
C3 | 0.9400 (4) | 0.3598 (2) | −0.07412 (13) | 0.0443 (12) | |
C4 | 0.9044 (4) | 0.4097 (2) | −0.08409 (12) | 0.0406 (12) | |
C5 | 0.8267 (4) | 0.4226 (2) | −0.06401 (13) | 0.0462 (13) | |
C6 | 0.8111 (4) | 0.3798 (2) | −0.04242 (14) | 0.0503 (14) | |
C7 | 0.8812 (4) | 0.3406 (2) | −0.04792 (13) | 0.0500 (14) | |
C8 | 1.0206 (4) | 0.3325 (2) | −0.08704 (15) | 0.0598 (16) | |
H8A | 1.0015 | 0.3081 | −0.1033 | 0.090* | |
H8B | 1.0511 | 0.3140 | −0.0700 | 0.090* | |
H8C | 1.0621 | 0.3576 | −0.0963 | 0.090* | |
C9 | 0.9418 (4) | 0.4442 (2) | −0.10961 (13) | 0.0527 (14) | |
H9A | 1.0058 | 0.4365 | −0.1128 | 0.079* | |
H9B | 0.9350 | 0.4801 | −0.1033 | 0.079* | |
H9C | 0.9089 | 0.4382 | −0.1293 | 0.079* | |
C10 | 0.7686 (4) | 0.4703 (3) | −0.06778 (15) | 0.0611 (17) | |
H10A | 0.7321 | 0.4672 | −0.0869 | 0.092* | |
H10B | 0.8074 | 0.5006 | −0.0694 | 0.092* | |
H10C | 0.7290 | 0.4738 | −0.0495 | 0.092* | |
C11 | 0.7383 (5) | 0.3760 (3) | −0.01753 (17) | 0.074 (2) | |
H11A | 0.7288 | 0.4098 | −0.0080 | 0.112* | |
H11B | 0.7569 | 0.3515 | −0.0012 | 0.112* | |
H11C | 0.6822 | 0.3642 | −0.0273 | 0.112* | |
C12 | 0.8903 (5) | 0.2895 (2) | −0.03125 (16) | 0.069 (2) | |
H12A | 0.8658 | 0.2924 | −0.0099 | 0.104* | |
H12B | 0.9541 | 0.2800 | −0.0301 | 0.104* | |
H12C | 0.8570 | 0.2632 | −0.0429 | 0.104* | |
C13 | 0.9742 (3) | −0.0026 (2) | 0.11045 (12) | 0.0400 (12) | |
C14 | 1.0392 (3) | −0.0125 (2) | 0.08192 (12) | 0.0379 (11) | |
C15 | 1.1633 (4) | 0.1778 (2) | 0.11841 (15) | 0.0551 (15) | |
C16 | 0.8385 (5) | −0.1842 (3) | 0.0717 (2) | 0.0678 (19) | |
C17 | 0.8417 (4) | 0.0692 (2) | 0.02945 (14) | 0.0491 (13) | |
C18 | 0.9076 (4) | 0.1071 (2) | 0.01865 (14) | 0.0517 (14) | |
C19 | 0.9035 (4) | 0.1505 (2) | 0.04029 (15) | 0.0536 (15) | |
C20 | 0.8358 (4) | 0.1397 (2) | 0.06447 (14) | 0.0516 (14) | |
C21 | 0.7963 (4) | 0.0900 (2) | 0.05678 (15) | 0.0505 (14) | |
C22 | 0.8195 (5) | 0.0180 (3) | 0.01308 (17) | 0.074 (2) | |
H22A | 0.8069 | −0.0083 | 0.0290 | 0.111* | |
H22B | 0.8709 | 0.0072 | 0.0002 | 0.111* | |
H22C | 0.7665 | 0.0224 | −0.0004 | 0.111* | |
C23 | 0.9704 (5) | 0.1014 (3) | −0.00974 (15) | 0.080 (2) | |
H23A | 0.9405 | 0.1148 | −0.0286 | 0.120* | |
H23B | 0.9847 | 0.0650 | −0.0129 | 0.120* | |
H23C | 1.0260 | 0.1206 | −0.0059 | 0.120* | |
C24 | 0.9621 (5) | 0.1984 (3) | 0.0394 (2) | 0.082 (2) | |
H24A | 1.0088 | 0.1943 | 0.0233 | 0.123* | |
H24B | 0.9904 | 0.2035 | 0.0600 | 0.123* | |
H24C | 0.9247 | 0.2283 | 0.0343 | 0.123* | |
C25 | 0.8058 (5) | 0.1742 (3) | 0.09132 (18) | 0.079 (2) | |
H25A | 0.7529 | 0.1939 | 0.0848 | 0.118* | |
H25B | 0.8548 | 0.1978 | 0.0968 | 0.118* | |
H25C | 0.7906 | 0.1531 | 0.1097 | 0.118* | |
C26 | 0.7238 (4) | 0.0620 (3) | 0.07539 (17) | 0.072 (2) | |
H26A | 0.6657 | 0.0659 | 0.0647 | 0.108* | |
H26B | 0.7201 | 0.0765 | 0.0967 | 0.108* | |
H26C | 0.7391 | 0.0254 | 0.0767 | 0.108* | |
C27 | 1.1782 (4) | −0.0841 (2) | 0.15982 (14) | 0.0487 (13) | |
C28 | 1.2095 (4) | −0.1207 (3) | 0.13588 (13) | 0.0531 (15) | |
C29 | 1.1499 (5) | −0.1648 (2) | 0.13623 (15) | 0.0570 (16) | |
C30 | 1.0830 (4) | −0.1569 (2) | 0.16148 (15) | 0.0514 (14) | |
C31 | 1.1017 (4) | −0.1079 (2) | 0.17603 (13) | 0.0480 (13) | |
C32 | 1.2214 (5) | −0.0333 (3) | 0.1681 (2) | 0.080 (2) | |
H32A | 1.1746 | −0.0088 | 0.1743 | 0.120* | |
H32B | 1.2538 | −0.0200 | 0.1497 | 0.120* | |
H32C | 1.2637 | −0.0382 | 0.1856 | 0.120* | |
C33 | 1.2895 (5) | −0.1126 (4) | 0.11378 (19) | 0.087 (3) | |
H33A | 1.3448 | −0.1243 | 0.1241 | 0.131* | |
H33B | 1.2948 | −0.0761 | 0.1086 | 0.131* | |
H33C | 1.2801 | −0.1323 | 0.0944 | 0.131* | |
C34 | 1.1527 (6) | −0.2125 (3) | 0.11501 (19) | 0.091 (3) | |
H34A | 1.1986 | −0.2078 | 0.0986 | 0.136* | |
H34B | 1.0937 | −0.2174 | 0.1051 | 0.136* | |
H34C | 1.1677 | −0.2427 | 0.1277 | 0.136* | |
C35 | 1.0088 (5) | −0.1936 (3) | 0.1709 (2) | 0.083 (2) | |
H35A | 1.0355 | −0.2256 | 0.1786 | 0.125* | |
H35B | 0.9706 | −0.2008 | 0.1526 | 0.125* | |
H35C | 0.9723 | −0.1780 | 0.1876 | 0.125* | |
C36 | 1.0491 (5) | −0.0832 (3) | 0.20299 (15) | 0.072 (2) | |
H36A | 1.0432 | −0.0462 | 0.1991 | 0.108* | |
H36B | 1.0812 | −0.0887 | 0.2229 | 0.108* | |
H36C | 0.9891 | −0.0987 | 0.2043 | 0.108* | |
C37 | 0.4624 (3) | −0.0039 (2) | 0.18731 (12) | 0.0384 (11) | |
C38 | 0.5205 (3) | −0.0195 (2) | 0.21695 (12) | 0.0390 (11) | |
C39 | 0.6553 (4) | 0.1804 (2) | 0.18413 (16) | 0.0553 (15) | |
C40 | 0.3237 (4) | −0.1977 (2) | 0.21821 (14) | 0.0522 (14) | |
C41 | 0.3130 (4) | 0.0706 (2) | 0.25869 (14) | 0.0505 (14) | |
C42 | 0.3841 (4) | 0.0853 (2) | 0.28069 (13) | 0.0442 (13) | |
C43 | 0.4207 (4) | 0.1348 (2) | 0.27134 (13) | 0.0466 (13) | |
C44 | 0.3705 (4) | 0.1521 (2) | 0.24333 (14) | 0.0527 (15) | |
C45 | 0.3034 (4) | 0.1125 (3) | 0.23583 (15) | 0.0575 (16) | |
C46 | 0.2558 (5) | 0.0226 (3) | 0.26059 (19) | 0.076 (2) | |
H46A | 0.2930 | −0.0063 | 0.2675 | 0.114* | |
H46B | 0.2304 | 0.0151 | 0.2398 | 0.114* | |
H46C | 0.2067 | 0.0280 | 0.2757 | 0.114* | |
C47 | 0.4159 (5) | 0.0529 (3) | 0.30851 (14) | 0.0613 (16) | |
H47A | 0.3786 | 0.0604 | 0.3270 | 0.092* | |
H47B | 0.4790 | 0.0610 | 0.3132 | 0.092* | |
H47C | 0.4107 | 0.0164 | 0.3032 | 0.092* | |
C48 | 0.4976 (5) | 0.1637 (3) | 0.28670 (16) | 0.0661 (18) | |
H48A | 0.4735 | 0.1877 | 0.3023 | 0.099* | |
H48B | 0.5311 | 0.1827 | 0.2706 | 0.099* | |
H48C | 0.5381 | 0.1393 | 0.2971 | 0.099* | |
C49 | 0.3849 (6) | 0.2026 (3) | 0.22622 (17) | 0.077 (2) | |
H49A | 0.3615 | 0.1999 | 0.2047 | 0.115* | |
H49B | 0.4495 | 0.2104 | 0.2255 | 0.115* | |
H49C | 0.3532 | 0.2301 | 0.2374 | 0.115* | |
C50 | 0.2391 (5) | 0.1144 (4) | 0.20802 (18) | 0.092 (3) | |
H50A | 0.1901 | 0.0898 | 0.2114 | 0.137* | |
H50B | 0.2716 | 0.1055 | 0.1887 | 0.137* | |
H50C | 0.2142 | 0.1490 | 0.2061 | 0.137* | |
C51 | 0.6346 (4) | −0.1675 (2) | 0.15977 (13) | 0.0457 (13) | |
C52 | 0.6937 (4) | −0.1253 (2) | 0.16851 (13) | 0.0463 (13) | |
C53 | 0.6784 (4) | −0.0830 (2) | 0.14610 (13) | 0.0425 (12) | |
C54 | 0.6131 (4) | −0.1008 (2) | 0.12232 (12) | 0.0414 (12) | |
C55 | 0.5847 (4) | −0.1530 (2) | 0.13121 (13) | 0.0445 (13) | |
C56 | 0.6268 (5) | −0.2192 (2) | 0.17659 (17) | 0.0680 (19) | |
H56A | 0.6533 | −0.2165 | 0.1977 | 0.102* | |
H56B | 0.6588 | −0.2455 | 0.1645 | 0.102* | |
H56C | 0.5631 | −0.2287 | 0.1784 | 0.102* | |
C57 | 0.7554 (5) | −0.1237 (3) | 0.19704 (15) | 0.0683 (19) | |
H57A | 0.7198 | −0.1167 | 0.2160 | 0.103* | |
H57B | 0.8004 | −0.0965 | 0.1942 | 0.103* | |
H57C | 0.7860 | −0.1568 | 0.1993 | 0.103* | |
C58 | 0.7250 (4) | −0.0311 (2) | 0.14607 (16) | 0.0605 (16) | |
H58A | 0.7470 | −0.0233 | 0.1673 | 0.091* | |
H58B | 0.6822 | −0.0045 | 0.1395 | 0.091* | |
H58C | 0.7759 | −0.0318 | 0.1314 | 0.091* | |
C59 | 0.5797 (4) | −0.0702 (3) | 0.09428 (13) | 0.0555 (15) | |
H59A | 0.6196 | −0.0761 | 0.0762 | 0.083* | |
H59B | 0.5793 | −0.0336 | 0.0996 | 0.083* | |
H59C | 0.5184 | −0.0812 | 0.0889 | 0.083* | |
C60 | 0.5175 (5) | −0.1863 (3) | 0.11381 (17) | 0.0672 (18) | |
H60A | 0.4778 | −0.1646 | 0.1011 | 0.101* | |
H60B | 0.4816 | −0.2058 | 0.1291 | 0.101* | |
H60C | 0.5498 | −0.2102 | 0.1000 | 0.101* | |
F1 | 1.2433 (3) | 0.33377 (19) | 0.00867 (13) | 0.0998 (16) | |
F2 | 1.1406 (4) | 0.27819 (18) | −0.00349 (12) | 0.1034 (16) | |
F3 | 1.1777 (3) | 0.28965 (18) | 0.04507 (11) | 0.0923 (14) | |
F4 | 1.2423 (3) | 0.15588 (18) | 0.11105 (12) | 0.0933 (15) | |
F5 | 1.1459 (4) | 0.21358 (18) | 0.09601 (11) | 0.1016 (16) | |
F6 | 1.1757 (3) | 0.20284 (16) | 0.14552 (9) | 0.0769 (12) | |
F7 | 0.8728 (4) | −0.1847 (2) | 0.04186 (12) | 0.1076 (16) | |
F8 | 0.7493 (3) | −0.18487 (19) | 0.06909 (15) | 0.117 (2) | |
F9 | 0.8641 (3) | −0.22826 (15) | 0.08649 (13) | 0.0993 (15) | |
F10 | 0.6248 (3) | 0.21529 (16) | 0.20516 (11) | 0.0833 (12) | |
F11 | 0.7369 (3) | 0.16407 (16) | 0.19459 (12) | 0.0856 (13) | |
F12 | 0.6701 (3) | 0.20600 (16) | 0.15684 (10) | 0.0796 (12) | |
F13 | 0.2999 (3) | −0.21629 (17) | 0.24682 (9) | 0.0864 (13) | |
F14 | 0.2497 (3) | −0.18010 (18) | 0.20462 (13) | 0.0995 (16) | |
F15 | 0.3526 (3) | −0.23866 (17) | 0.20171 (12) | 0.0953 (14) | |
O1 | 0.9168 (2) | 0.45321 (14) | 0.00960 (8) | 0.0426 (8) | |
O2 | 1.0281 (2) | 0.48145 (14) | −0.03915 (8) | 0.0418 (8) | |
O3 | 1.0688 (3) | 0.38275 (16) | −0.01157 (9) | 0.0536 (10) | |
O4 | 1.1133 (3) | 0.40073 (18) | 0.04321 (11) | 0.0729 (13) | |
O5 | 0.9966 (3) | 0.33538 (18) | 0.03216 (10) | 0.0639 (11) | |
O6 | 0.9211 (2) | 0.03618 (13) | 0.10880 (8) | 0.0406 (8) | |
O7 | 1.0301 (2) | 0.01639 (13) | 0.05752 (9) | 0.0433 (8) | |
O8 | 0.9768 (2) | −0.03439 (14) | 0.13328 (8) | 0.0434 (9) | |
O9 | 1.0971 (2) | −0.04852 (14) | 0.08478 (8) | 0.0429 (8) | |
O10 | 1.0642 (3) | 0.11235 (15) | 0.08813 (9) | 0.0493 (9) | |
O11 | 0.9938 (3) | 0.1610 (2) | 0.13151 (10) | 0.0700 (13) | |
O12 | 1.1044 (3) | 0.09258 (18) | 0.14326 (11) | 0.0703 (13) | |
O13 | 0.9753 (3) | −0.13389 (16) | 0.09193 (10) | 0.0590 (11) | |
O14 | 0.8431 (4) | −0.08431 (18) | 0.07567 (14) | 0.0912 (17) | |
O15 | 0.8410 (3) | −0.1370 (2) | 0.12555 (11) | 0.0784 (14) | |
O16 | 0.4153 (2) | 0.03706 (13) | 0.18933 (8) | 0.0398 (8) | |
O17 | 0.5169 (2) | 0.01011 (13) | 0.24097 (8) | 0.0398 (8) | |
O18 | 0.4663 (2) | −0.03336 (14) | 0.16307 (8) | 0.0411 (8) | |
O19 | 0.5681 (2) | −0.05989 (13) | 0.21494 (8) | 0.0408 (8) | |
O20 | 0.5658 (2) | 0.10736 (15) | 0.21151 (9) | 0.0487 (9) | |
O21 | 0.6233 (3) | 0.09249 (17) | 0.15768 (11) | 0.0636 (12) | |
O22 | 0.4952 (3) | 0.15229 (16) | 0.16617 (9) | 0.0522 (10) | |
O23 | 0.4296 (3) | −0.13721 (16) | 0.18787 (9) | 0.0541 (10) | |
O24 | 0.3692 (4) | −0.10613 (18) | 0.23837 (13) | 0.0821 (16) | |
O25 | 0.4860 (3) | −0.1749 (2) | 0.23794 (11) | 0.0737 (13) | |
S1 | 1.07561 (10) | 0.36392 (6) | 0.02152 (3) | 0.0478 (3) | |
S2 | 1.07084 (10) | 0.13074 (6) | 0.12138 (3) | 0.0462 (3) | |
S3 | 0.87774 (11) | −0.12787 (6) | 0.09381 (4) | 0.0569 (4) | |
S4 | 0.57534 (9) | 0.12732 (5) | 0.17856 (3) | 0.0438 (3) | |
S5 | 0.41220 (11) | −0.14837 (6) | 0.22184 (4) | 0.0503 (3) | |
Rh1 | 0.94376 (3) | 0.413555 (15) | −0.034591 (9) | 0.03828 (12) | |
Rh2 | 0.93884 (3) | 0.080836 (16) | 0.066107 (10) | 0.03821 (12) | |
Rh3 | 1.07209 (3) | −0.096142 (16) | 0.126428 (10) | 0.03894 (12) | |
Rh4 | 0.43670 (3) | 0.078921 (16) | 0.233111 (10) | 0.03799 (12) | |
Rh5 | 0.55463 (3) | −0.099646 (16) | 0.169641 (9) | 0.03729 (12) |
U11 | U22 | U33 | U12 | U13 | U23 | |
C1 | 0.037 (3) | 0.051 (3) | 0.030 (3) | 0.004 (2) | 0.000 (2) | 0.004 (2) |
C2 | 0.059 (4) | 0.064 (4) | 0.054 (4) | 0.001 (3) | 0.002 (3) | 0.009 (3) |
C3 | 0.049 (3) | 0.047 (3) | 0.037 (3) | 0.001 (2) | −0.005 (2) | −0.005 (2) |
C4 | 0.042 (3) | 0.046 (3) | 0.033 (3) | −0.006 (2) | −0.006 (2) | −0.002 (2) |
C5 | 0.047 (3) | 0.053 (3) | 0.038 (3) | −0.004 (3) | −0.007 (2) | −0.007 (2) |
C6 | 0.048 (3) | 0.057 (3) | 0.046 (3) | −0.012 (3) | 0.000 (3) | −0.004 (3) |
C7 | 0.062 (4) | 0.049 (3) | 0.039 (3) | −0.013 (3) | −0.011 (3) | 0.003 (3) |
C8 | 0.065 (4) | 0.062 (4) | 0.053 (4) | 0.015 (3) | −0.004 (3) | −0.014 (3) |
C9 | 0.066 (4) | 0.056 (3) | 0.037 (3) | −0.006 (3) | 0.000 (3) | 0.008 (3) |
C10 | 0.051 (4) | 0.068 (4) | 0.064 (4) | 0.016 (3) | −0.009 (3) | −0.003 (3) |
C11 | 0.056 (4) | 0.100 (5) | 0.067 (4) | −0.026 (4) | 0.014 (3) | −0.003 (4) |
C12 | 0.103 (6) | 0.040 (3) | 0.064 (4) | −0.017 (3) | −0.015 (4) | 0.008 (3) |
C13 | 0.040 (3) | 0.045 (3) | 0.035 (3) | −0.004 (2) | −0.001 (2) | −0.004 (2) |
C14 | 0.035 (3) | 0.044 (3) | 0.035 (3) | −0.005 (2) | −0.001 (2) | −0.006 (2) |
C15 | 0.060 (4) | 0.056 (4) | 0.049 (4) | −0.004 (3) | 0.001 (3) | −0.008 (3) |
C16 | 0.052 (4) | 0.057 (4) | 0.094 (6) | 0.009 (3) | −0.007 (4) | 0.002 (4) |
C17 | 0.052 (3) | 0.048 (3) | 0.047 (3) | 0.002 (3) | −0.012 (3) | −0.002 (3) |
C18 | 0.047 (3) | 0.067 (4) | 0.042 (3) | 0.006 (3) | −0.010 (3) | 0.009 (3) |
C19 | 0.053 (4) | 0.049 (3) | 0.058 (4) | 0.001 (3) | −0.015 (3) | 0.016 (3) |
C20 | 0.049 (3) | 0.055 (3) | 0.051 (3) | 0.014 (3) | −0.010 (3) | 0.002 (3) |
C21 | 0.041 (3) | 0.058 (3) | 0.052 (3) | −0.003 (3) | −0.010 (3) | 0.009 (3) |
C22 | 0.078 (5) | 0.069 (4) | 0.074 (5) | −0.009 (4) | −0.023 (4) | −0.023 (4) |
C23 | 0.075 (5) | 0.122 (6) | 0.042 (4) | −0.003 (5) | 0.002 (3) | 0.014 (4) |
C24 | 0.091 (5) | 0.054 (4) | 0.102 (6) | −0.020 (4) | −0.028 (5) | 0.030 (4) |
C25 | 0.078 (5) | 0.079 (5) | 0.079 (5) | 0.033 (4) | −0.015 (4) | −0.026 (4) |
C26 | 0.049 (4) | 0.096 (5) | 0.072 (5) | −0.014 (4) | −0.001 (3) | 0.013 (4) |
C27 | 0.044 (3) | 0.055 (3) | 0.046 (3) | 0.001 (3) | −0.009 (3) | 0.003 (3) |
C28 | 0.046 (3) | 0.075 (4) | 0.038 (3) | 0.014 (3) | 0.002 (3) | 0.007 (3) |
C29 | 0.066 (4) | 0.053 (3) | 0.052 (4) | 0.019 (3) | −0.019 (3) | −0.005 (3) |
C30 | 0.046 (3) | 0.052 (3) | 0.057 (4) | 0.006 (3) | −0.007 (3) | 0.015 (3) |
C31 | 0.046 (3) | 0.059 (3) | 0.039 (3) | 0.014 (3) | −0.003 (2) | 0.007 (3) |
C32 | 0.069 (5) | 0.066 (4) | 0.104 (6) | −0.018 (4) | −0.033 (4) | −0.007 (4) |
C33 | 0.052 (4) | 0.133 (7) | 0.077 (5) | 0.021 (4) | 0.015 (4) | 0.025 (5) |
C34 | 0.115 (7) | 0.067 (5) | 0.090 (6) | 0.041 (5) | −0.022 (5) | −0.024 (4) |
C35 | 0.075 (5) | 0.073 (5) | 0.101 (6) | −0.012 (4) | −0.012 (4) | 0.040 (4) |
C36 | 0.079 (5) | 0.099 (5) | 0.038 (3) | 0.029 (4) | 0.005 (3) | 0.004 (3) |
C37 | 0.034 (3) | 0.051 (3) | 0.031 (3) | −0.003 (2) | 0.003 (2) | 0.006 (2) |
C38 | 0.036 (3) | 0.045 (3) | 0.037 (3) | −0.004 (2) | 0.002 (2) | 0.005 (2) |
C39 | 0.047 (3) | 0.061 (4) | 0.057 (4) | −0.005 (3) | −0.004 (3) | 0.009 (3) |
C40 | 0.061 (4) | 0.053 (3) | 0.043 (3) | −0.004 (3) | −0.003 (3) | 0.007 (3) |
C41 | 0.041 (3) | 0.061 (4) | 0.049 (3) | 0.005 (3) | 0.004 (3) | −0.008 (3) |
C42 | 0.043 (3) | 0.048 (3) | 0.042 (3) | 0.009 (2) | 0.007 (2) | −0.003 (2) |
C43 | 0.050 (3) | 0.047 (3) | 0.042 (3) | 0.008 (3) | 0.006 (3) | −0.007 (2) |
C44 | 0.057 (4) | 0.052 (3) | 0.048 (3) | 0.018 (3) | 0.005 (3) | −0.003 (3) |
C45 | 0.041 (3) | 0.079 (4) | 0.053 (4) | 0.021 (3) | −0.002 (3) | −0.012 (3) |
C46 | 0.061 (4) | 0.085 (5) | 0.083 (5) | −0.020 (4) | 0.014 (4) | −0.020 (4) |
C47 | 0.079 (4) | 0.069 (4) | 0.035 (3) | 0.007 (3) | 0.005 (3) | 0.005 (3) |
C48 | 0.068 (4) | 0.060 (4) | 0.070 (4) | −0.003 (3) | −0.003 (3) | −0.026 (3) |
C49 | 0.108 (6) | 0.049 (4) | 0.073 (5) | 0.033 (4) | 0.021 (4) | 0.010 (3) |
C50 | 0.066 (5) | 0.137 (7) | 0.072 (5) | 0.047 (5) | −0.027 (4) | −0.010 (5) |
C51 | 0.048 (3) | 0.045 (3) | 0.044 (3) | 0.008 (2) | 0.008 (3) | 0.004 (2) |
C52 | 0.044 (3) | 0.052 (3) | 0.042 (3) | 0.007 (3) | 0.000 (3) | 0.000 (2) |
C53 | 0.041 (3) | 0.046 (3) | 0.040 (3) | 0.003 (2) | 0.004 (2) | −0.001 (2) |
C54 | 0.040 (3) | 0.050 (3) | 0.034 (3) | 0.006 (2) | 0.009 (2) | −0.001 (2) |
C55 | 0.044 (3) | 0.047 (3) | 0.043 (3) | 0.000 (2) | 0.008 (2) | −0.009 (2) |
C56 | 0.088 (5) | 0.043 (3) | 0.073 (4) | 0.017 (3) | 0.021 (4) | 0.015 (3) |
C57 | 0.058 (4) | 0.095 (5) | 0.052 (4) | 0.020 (4) | −0.013 (3) | −0.001 (4) |
C58 | 0.051 (4) | 0.057 (4) | 0.073 (4) | −0.013 (3) | 0.011 (3) | 0.000 (3) |
C59 | 0.062 (4) | 0.068 (4) | 0.036 (3) | 0.009 (3) | 0.002 (3) | 0.010 (3) |
C60 | 0.066 (4) | 0.066 (4) | 0.069 (4) | −0.004 (3) | −0.004 (4) | −0.028 (3) |
F1 | 0.059 (3) | 0.109 (4) | 0.132 (4) | 0.015 (2) | 0.024 (3) | 0.047 (3) |
F2 | 0.125 (4) | 0.081 (3) | 0.103 (4) | 0.034 (3) | −0.012 (3) | −0.030 (3) |
F3 | 0.094 (3) | 0.099 (3) | 0.084 (3) | 0.028 (3) | 0.002 (3) | 0.042 (3) |
F4 | 0.052 (2) | 0.110 (3) | 0.117 (4) | −0.019 (2) | 0.024 (2) | −0.050 (3) |
F5 | 0.129 (4) | 0.087 (3) | 0.089 (3) | −0.050 (3) | −0.031 (3) | 0.033 (3) |
F6 | 0.078 (3) | 0.086 (3) | 0.067 (2) | −0.022 (2) | 0.002 (2) | −0.033 (2) |
F7 | 0.128 (4) | 0.114 (4) | 0.080 (3) | −0.018 (3) | −0.013 (3) | −0.032 (3) |
F8 | 0.058 (3) | 0.097 (3) | 0.195 (6) | −0.019 (2) | −0.036 (3) | 0.000 (4) |
F9 | 0.101 (3) | 0.049 (2) | 0.148 (4) | −0.001 (2) | −0.023 (3) | 0.005 (2) |
F10 | 0.100 (3) | 0.063 (2) | 0.086 (3) | −0.015 (2) | −0.010 (2) | −0.020 (2) |
F11 | 0.055 (2) | 0.078 (3) | 0.123 (4) | −0.013 (2) | −0.030 (2) | 0.035 (3) |
F12 | 0.073 (3) | 0.081 (3) | 0.084 (3) | −0.019 (2) | −0.007 (2) | 0.034 (2) |
F13 | 0.104 (3) | 0.098 (3) | 0.057 (2) | −0.035 (3) | 0.003 (2) | 0.024 (2) |
F14 | 0.056 (2) | 0.107 (3) | 0.135 (4) | −0.017 (2) | −0.029 (3) | 0.061 (3) |
F15 | 0.107 (3) | 0.068 (3) | 0.111 (4) | −0.018 (2) | 0.014 (3) | −0.027 (3) |
O1 | 0.044 (2) | 0.047 (2) | 0.0361 (19) | −0.0099 (17) | 0.0040 (16) | −0.0039 (16) |
O2 | 0.046 (2) | 0.049 (2) | 0.0304 (18) | −0.0051 (16) | 0.0016 (16) | −0.0026 (16) |
O3 | 0.053 (2) | 0.067 (3) | 0.040 (2) | 0.0027 (19) | −0.0037 (18) | 0.0090 (19) |
O4 | 0.084 (3) | 0.070 (3) | 0.065 (3) | 0.004 (2) | −0.027 (3) | −0.019 (2) |
O5 | 0.057 (3) | 0.074 (3) | 0.061 (3) | −0.004 (2) | 0.009 (2) | 0.010 (2) |
O6 | 0.0412 (19) | 0.0410 (19) | 0.0395 (19) | 0.0063 (16) | 0.0029 (16) | 0.0024 (15) |
O7 | 0.048 (2) | 0.043 (2) | 0.039 (2) | 0.0052 (16) | 0.0018 (17) | 0.0021 (17) |
O8 | 0.047 (2) | 0.044 (2) | 0.039 (2) | 0.0018 (16) | 0.0043 (16) | 0.0098 (16) |
O9 | 0.043 (2) | 0.047 (2) | 0.038 (2) | 0.0066 (16) | 0.0024 (16) | 0.0035 (16) |
O10 | 0.049 (2) | 0.055 (2) | 0.043 (2) | −0.0056 (18) | −0.0051 (17) | −0.0059 (18) |
O11 | 0.050 (3) | 0.096 (4) | 0.064 (3) | 0.006 (2) | 0.003 (2) | −0.018 (3) |
O12 | 0.080 (3) | 0.069 (3) | 0.062 (3) | −0.014 (2) | −0.026 (2) | 0.020 (2) |
O13 | 0.050 (2) | 0.064 (3) | 0.063 (3) | 0.000 (2) | 0.008 (2) | −0.001 (2) |
O14 | 0.104 (4) | 0.056 (3) | 0.114 (4) | 0.006 (3) | −0.045 (3) | 0.025 (3) |
O15 | 0.075 (3) | 0.096 (4) | 0.064 (3) | 0.003 (3) | 0.026 (3) | −0.002 (3) |
O16 | 0.0405 (19) | 0.0422 (19) | 0.0366 (19) | 0.0063 (16) | −0.0022 (16) | −0.0025 (15) |
O17 | 0.044 (2) | 0.0414 (19) | 0.0335 (19) | 0.0042 (15) | −0.0037 (16) | −0.0047 (15) |
O18 | 0.045 (2) | 0.045 (2) | 0.0334 (19) | 0.0063 (16) | −0.0030 (15) | −0.0023 (15) |
O19 | 0.045 (2) | 0.044 (2) | 0.0337 (18) | 0.0094 (16) | −0.0009 (16) | −0.0012 (15) |
O20 | 0.046 (2) | 0.056 (2) | 0.044 (2) | −0.0012 (17) | 0.0009 (17) | 0.0097 (18) |
O21 | 0.069 (3) | 0.064 (3) | 0.057 (3) | 0.009 (2) | 0.015 (2) | −0.013 (2) |
O22 | 0.047 (2) | 0.061 (2) | 0.048 (2) | 0.0042 (19) | −0.0104 (18) | 0.0047 (19) |
O23 | 0.052 (2) | 0.067 (3) | 0.044 (2) | −0.0061 (19) | 0.0072 (19) | 0.0038 (19) |
O24 | 0.094 (4) | 0.064 (3) | 0.088 (4) | −0.011 (3) | 0.045 (3) | −0.026 (3) |
O25 | 0.062 (3) | 0.090 (3) | 0.068 (3) | −0.002 (3) | −0.022 (2) | 0.015 (3) |
S1 | 0.0519 (8) | 0.0532 (8) | 0.0384 (7) | 0.0020 (6) | −0.0049 (6) | 0.0015 (6) |
S2 | 0.0460 (8) | 0.0532 (8) | 0.0396 (7) | −0.0048 (6) | −0.0030 (6) | 0.0005 (6) |
S3 | 0.0508 (9) | 0.0528 (9) | 0.0669 (10) | 0.0003 (7) | −0.0049 (8) | 0.0014 (7) |
S4 | 0.0440 (7) | 0.0475 (7) | 0.0401 (7) | −0.0012 (6) | 0.0009 (6) | −0.0011 (6) |
S5 | 0.0552 (9) | 0.0530 (8) | 0.0428 (8) | −0.0056 (7) | 0.0078 (7) | −0.0008 (6) |
Rh1 | 0.0412 (2) | 0.0414 (2) | 0.0322 (2) | −0.00294 (17) | −0.00206 (17) | −0.00092 (17) |
Rh2 | 0.0402 (2) | 0.0388 (2) | 0.0356 (2) | 0.00016 (17) | −0.00354 (17) | 0.00255 (16) |
Rh3 | 0.0387 (2) | 0.0404 (2) | 0.0377 (2) | 0.00261 (17) | −0.00280 (18) | 0.00238 (17) |
Rh4 | 0.0390 (2) | 0.0415 (2) | 0.0335 (2) | 0.00419 (17) | 0.00072 (17) | −0.00178 (16) |
Rh5 | 0.0390 (2) | 0.0404 (2) | 0.0325 (2) | 0.00235 (17) | 0.00206 (17) | −0.00098 (16) |
C1—O2 | 1.252 (6) | C36—H36A | 0.9600 |
C1—O1i | 1.253 (6) | C36—H36B | 0.9600 |
C1—C1i | 1.532 (10) | C36—H36C | 0.9600 |
C2—F1 | 1.305 (7) | C37—O16 | 1.253 (6) |
C2—F2 | 1.321 (8) | C37—O18 | 1.259 (6) |
C2—F3 | 1.328 (7) | C37—C38 | 1.546 (7) |
C2—S1 | 1.805 (7) | C38—O19 | 1.246 (6) |
C3—C4 | 1.437 (7) | C38—O17 | 1.253 (6) |
C3—C8 | 1.466 (8) | C39—F10 | 1.325 (7) |
C3—C7 | 1.468 (8) | C39—F12 | 1.327 (7) |
C3—Rh1 | 2.142 (5) | C39—F11 | 1.331 (7) |
C4—C5 | 1.443 (8) | C39—S4 | 1.800 (6) |
C4—C9 | 1.481 (7) | C40—F14 | 1.296 (7) |
C4—Rh1 | 2.138 (5) | C40—F15 | 1.318 (7) |
C5—C6 | 1.432 (8) | C40—F13 | 1.326 (7) |
C5—C10 | 1.491 (8) | C40—S5 | 1.808 (6) |
C5—Rh1 | 2.109 (5) | C41—C42 | 1.430 (8) |
C6—C7 | 1.446 (8) | C41—C45 | 1.436 (9) |
C6—C11 | 1.484 (8) | C41—C46 | 1.484 (8) |
C6—Rh1 | 2.138 (5) | C41—Rh4 | 2.100 (6) |
C7—C12 | 1.483 (8) | C42—C43 | 1.425 (8) |
C7—Rh1 | 2.145 (5) | C42—C47 | 1.496 (8) |
C8—H8A | 0.9600 | C42—Rh4 | 2.127 (5) |
C8—H8B | 0.9600 | C43—C44 | 1.444 (8) |
C8—H8C | 0.9600 | C43—C48 | 1.484 (8) |
C9—H9A | 0.9600 | C43—Rh4 | 2.148 (5) |
C9—H9B | 0.9600 | C44—C45 | 1.439 (9) |
C9—H9C | 0.9600 | C44—C49 | 1.487 (9) |
C10—H10A | 0.9600 | C44—Rh4 | 2.144 (5) |
C10—H10B | 0.9600 | C45—C50 | 1.488 (9) |
C10—H10C | 0.9600 | C45—Rh4 | 2.122 (6) |
C11—H11A | 0.9600 | C46—H46A | 0.9600 |
C11—H11B | 0.9600 | C46—H46B | 0.9600 |
C11—H11C | 0.9600 | C46—H46C | 0.9600 |
C12—H12A | 0.9600 | C47—H47A | 0.9600 |
C12—H12B | 0.9600 | C47—H47B | 0.9600 |
C12—H12C | 0.9600 | C47—H47C | 0.9600 |
C13—O8 | 1.250 (6) | C48—H48A | 0.9600 |
C13—O6 | 1.257 (6) | C48—H48B | 0.9600 |
C13—C14 | 1.538 (7) | C48—H48C | 0.9600 |
C14—O9 | 1.253 (6) | C49—H49A | 0.9600 |
C14—O7 | 1.260 (6) | C49—H49B | 0.9600 |
C15—F6 | 1.308 (7) | C49—H49C | 0.9600 |
C15—F4 | 1.315 (7) | C50—H50A | 0.9600 |
C15—F5 | 1.328 (7) | C50—H50B | 0.9600 |
C15—S2 | 1.807 (6) | C50—H50C | 0.9600 |
C16—F8 | 1.302 (8) | C51—C52 | 1.426 (8) |
C16—F9 | 1.335 (8) | C51—C55 | 1.440 (8) |
C16—F7 | 1.338 (9) | C51—C56 | 1.497 (8) |
C16—S3 | 1.799 (7) | C51—Rh5 | 2.127 (5) |
C17—C21 | 1.418 (8) | C52—C53 | 1.444 (8) |
C17—C18 | 1.435 (8) | C52—C57 | 1.488 (8) |
C17—C22 | 1.508 (8) | C52—Rh5 | 2.127 (5) |
C17—Rh2 | 2.099 (5) | C53—C54 | 1.445 (8) |
C18—C19 | 1.429 (9) | C53—C58 | 1.488 (8) |
C18—C23 | 1.499 (9) | C53—Rh5 | 2.093 (5) |
C18—Rh2 | 2.133 (5) | C54—C55 | 1.443 (8) |
C19—C20 | 1.434 (8) | C54—C59 | 1.485 (7) |
C19—C24 | 1.489 (8) | C54—Rh5 | 2.144 (5) |
C19—Rh2 | 2.140 (5) | C55—C60 | 1.484 (8) |
C20—C21 | 1.429 (8) | C55—Rh5 | 2.145 (5) |
C20—C25 | 1.487 (8) | C56—H56A | 0.9600 |
C20—Rh2 | 2.124 (6) | C56—H56B | 0.9600 |
C21—C26 | 1.490 (8) | C56—H56C | 0.9600 |
C21—Rh2 | 2.123 (5) | C57—H57A | 0.9600 |
C22—H22A | 0.9600 | C57—H57B | 0.9600 |
C22—H22B | 0.9600 | C57—H57C | 0.9600 |
C22—H22C | 0.9600 | C58—H58A | 0.9600 |
C23—H23A | 0.9600 | C58—H58B | 0.9600 |
C23—H23B | 0.9600 | C58—H58C | 0.9600 |
C23—H23C | 0.9600 | C59—H59A | 0.9600 |
C24—H24A | 0.9600 | C59—H59B | 0.9600 |
C24—H24B | 0.9600 | C59—H59C | 0.9600 |
C24—H24C | 0.9600 | C60—H60A | 0.9600 |
C25—H25A | 0.9600 | C60—H60B | 0.9600 |
C25—H25B | 0.9600 | C60—H60C | 0.9600 |
C25—H25C | 0.9600 | O1—C1i | 1.253 (6) |
C26—H26A | 0.9600 | O1—Rh1 | 2.134 (3) |
C26—H26B | 0.9600 | O2—Rh1 | 2.132 (3) |
C26—H26C | 0.9600 | O3—S1 | 1.460 (4) |
C27—C31 | 1.436 (8) | O3—Rh1 | 2.201 (4) |
C27—C28 | 1.439 (8) | O4—S1 | 1.413 (4) |
C27—C32 | 1.482 (8) | O5—S1 | 1.431 (4) |
C27—Rh3 | 2.099 (5) | O6—Rh2 | 2.125 (3) |
C28—C29 | 1.422 (9) | O7—Rh2 | 2.144 (3) |
C28—C33 | 1.496 (8) | O8—Rh3 | 2.118 (4) |
C28—Rh3 | 2.132 (6) | O9—Rh3 | 2.147 (3) |
C29—C30 | 1.445 (9) | O10—S2 | 1.463 (4) |
C29—C34 | 1.504 (9) | O10—Rh2 | 2.193 (4) |
C29—Rh3 | 2.125 (6) | O11—S2 | 1.425 (5) |
C30—C31 | 1.415 (9) | O12—S2 | 1.419 (4) |
C30—C35 | 1.482 (9) | O13—S3 | 1.430 (4) |
C30—Rh3 | 2.133 (6) | O13—Rh3 | 2.229 (4) |
C31—C36 | 1.496 (8) | O14—S3 | 1.435 (4) |
C31—Rh3 | 2.128 (5) | O15—S3 | 1.442 (5) |
C32—H32A | 0.9600 | O16—Rh4 | 2.133 (3) |
C32—H32B | 0.9600 | O17—Rh4 | 2.133 (3) |
C32—H32C | 0.9600 | O18—Rh5 | 2.142 (3) |
C33—H33A | 0.9600 | O19—Rh5 | 2.148 (3) |
C33—H33B | 0.9600 | O20—S4 | 1.468 (4) |
C33—H33C | 0.9600 | O20—Rh4 | 2.205 (4) |
C34—H34A | 0.9600 | O21—S4 | 1.425 (4) |
C34—H34B | 0.9600 | O22—S4 | 1.425 (4) |
C34—H34C | 0.9600 | O23—S5 | 1.463 (4) |
C35—H35A | 0.9600 | O23—Rh5 | 2.191 (4) |
C35—H35B | 0.9600 | O24—S5 | 1.423 (5) |
C35—H35C | 0.9600 | O25—S5 | 1.435 (5) |
O2—C1—O1i | 124.8 (5) | H47A—C47—H47C | 109.5 |
O2—C1—C1i | 117.5 (6) | H47B—C47—H47C | 109.5 |
O1i—C1—C1i | 117.7 (6) | C43—C48—H48A | 109.5 |
F1—C2—F2 | 107.7 (6) | C43—C48—H48B | 109.5 |
F1—C2—F3 | 106.8 (6) | H48A—C48—H48B | 109.5 |
F2—C2—F3 | 105.7 (6) | C43—C48—H48C | 109.5 |
F1—C2—S1 | 113.3 (5) | H48A—C48—H48C | 109.5 |
F2—C2—S1 | 111.7 (5) | H48B—C48—H48C | 109.5 |
F3—C2—S1 | 111.3 (5) | C44—C49—H49A | 109.5 |
C4—C3—C8 | 127.1 (5) | C44—C49—H49B | 109.5 |
C4—C3—C7 | 107.5 (5) | H49A—C49—H49B | 109.5 |
C8—C3—C7 | 125.4 (5) | C44—C49—H49C | 109.5 |
C4—C3—Rh1 | 70.2 (3) | H49A—C49—H49C | 109.5 |
C8—C3—Rh1 | 124.4 (4) | H49B—C49—H49C | 109.5 |
C7—C3—Rh1 | 70.1 (3) | C45—C50—H50A | 109.5 |
C3—C4—C5 | 108.5 (5) | C45—C50—H50B | 109.5 |
C3—C4—C9 | 126.9 (5) | H50A—C50—H50B | 109.5 |
C5—C4—C9 | 124.6 (5) | C45—C50—H50C | 109.5 |
C3—C4—Rh1 | 70.5 (3) | H50A—C50—H50C | 109.5 |
C5—C4—Rh1 | 69.1 (3) | H50B—C50—H50C | 109.5 |
C9—C4—Rh1 | 124.3 (4) | C52—C51—C55 | 108.6 (5) |
C6—C5—C4 | 108.3 (5) | C52—C51—C56 | 126.4 (6) |
C6—C5—C10 | 126.9 (5) | C55—C51—C56 | 125.0 (6) |
C4—C5—C10 | 124.6 (5) | C52—C51—Rh5 | 70.4 (3) |
C6—C5—Rh1 | 71.4 (3) | C55—C51—Rh5 | 71.0 (3) |
C4—C5—Rh1 | 71.2 (3) | C56—C51—Rh5 | 125.8 (4) |
C10—C5—Rh1 | 127.4 (4) | C51—C52—C53 | 108.0 (5) |
C5—C6—C7 | 108.4 (5) | C51—C52—C57 | 126.0 (6) |
C5—C6—C11 | 126.8 (6) | C53—C52—C57 | 125.9 (6) |
C7—C6—C11 | 124.7 (6) | C51—C52—Rh5 | 70.4 (3) |
C5—C6—Rh1 | 69.2 (3) | C53—C52—Rh5 | 68.8 (3) |
C7—C6—Rh1 | 70.5 (3) | C57—C52—Rh5 | 123.2 (4) |
C11—C6—Rh1 | 124.3 (4) | C52—C53—C54 | 107.8 (5) |
C6—C7—C3 | 107.3 (5) | C52—C53—C58 | 126.6 (5) |
C6—C7—C12 | 126.7 (6) | C54—C53—C58 | 125.5 (5) |
C3—C7—C12 | 126.0 (6) | C52—C53—Rh5 | 71.2 (3) |
C6—C7—Rh1 | 70.0 (3) | C54—C53—Rh5 | 72.0 (3) |
C3—C7—Rh1 | 69.9 (3) | C58—C53—Rh5 | 125.0 (4) |
C12—C7—Rh1 | 127.2 (4) | C55—C54—C53 | 107.7 (5) |
C3—C8—H8A | 109.5 | C55—C54—C59 | 126.3 (5) |
C3—C8—H8B | 109.5 | C53—C54—C59 | 125.9 (5) |
H8A—C8—H8B | 109.5 | C55—C54—Rh5 | 70.4 (3) |
C3—C8—H8C | 109.5 | C53—C54—Rh5 | 68.2 (3) |
H8A—C8—H8C | 109.5 | C59—C54—Rh5 | 125.6 (4) |
H8B—C8—H8C | 109.5 | C51—C55—C54 | 107.7 (5) |
C4—C9—H9A | 109.5 | C51—C55—C60 | 125.9 (5) |
C4—C9—H9B | 109.5 | C54—C55—C60 | 126.4 (5) |
H9A—C9—H9B | 109.5 | C51—C55—Rh5 | 69.6 (3) |
C4—C9—H9C | 109.5 | C54—C55—Rh5 | 70.3 (3) |
H9A—C9—H9C | 109.5 | C60—C55—Rh5 | 126.3 (4) |
H9B—C9—H9C | 109.5 | C51—C56—H56A | 109.5 |
C5—C10—H10A | 109.5 | C51—C56—H56B | 109.5 |
C5—C10—H10B | 109.5 | H56A—C56—H56B | 109.5 |
H10A—C10—H10B | 109.5 | C51—C56—H56C | 109.5 |
C5—C10—H10C | 109.5 | H56A—C56—H56C | 109.5 |
H10A—C10—H10C | 109.5 | H56B—C56—H56C | 109.5 |
H10B—C10—H10C | 109.5 | C52—C57—H57A | 109.5 |
C6—C11—H11A | 109.5 | C52—C57—H57B | 109.5 |
C6—C11—H11B | 109.5 | H57A—C57—H57B | 109.5 |
H11A—C11—H11B | 109.5 | C52—C57—H57C | 109.5 |
C6—C11—H11C | 109.5 | H57A—C57—H57C | 109.5 |
H11A—C11—H11C | 109.5 | H57B—C57—H57C | 109.5 |
H11B—C11—H11C | 109.5 | C53—C58—H58A | 109.5 |
C7—C12—H12A | 109.5 | C53—C58—H58B | 109.5 |
C7—C12—H12B | 109.5 | H58A—C58—H58B | 109.5 |
H12A—C12—H12B | 109.5 | C53—C58—H58C | 109.5 |
C7—C12—H12C | 109.5 | H58A—C58—H58C | 109.5 |
H12A—C12—H12C | 109.5 | H58B—C58—H58C | 109.5 |
H12B—C12—H12C | 109.5 | C54—C59—H59A | 109.5 |
O8—C13—O6 | 124.8 (5) | C54—C59—H59B | 109.5 |
O8—C13—C14 | 117.4 (5) | H59A—C59—H59B | 109.5 |
O6—C13—C14 | 117.7 (5) | C54—C59—H59C | 109.5 |
O9—C14—O7 | 125.2 (5) | H59A—C59—H59C | 109.5 |
O9—C14—C13 | 117.4 (5) | H59B—C59—H59C | 109.5 |
O7—C14—C13 | 117.4 (5) | C55—C60—H60A | 109.5 |
F6—C15—F4 | 106.7 (5) | C55—C60—H60B | 109.5 |
F6—C15—F5 | 107.1 (5) | H60A—C60—H60B | 109.5 |
F4—C15—F5 | 107.2 (6) | C55—C60—H60C | 109.5 |
F6—C15—S2 | 111.7 (4) | H60A—C60—H60C | 109.5 |
F4—C15—S2 | 112.5 (4) | H60B—C60—H60C | 109.5 |
F5—C15—S2 | 111.3 (4) | C1i—O1—Rh1 | 112.7 (3) |
F8—C16—F9 | 107.8 (6) | C1—O2—Rh1 | 112.9 (3) |
F8—C16—F7 | 107.1 (7) | S1—O3—Rh1 | 125.7 (2) |
F9—C16—F7 | 108.3 (6) | C13—O6—Rh2 | 113.1 (3) |
F8—C16—S3 | 111.7 (5) | C14—O7—Rh2 | 112.3 (3) |
F9—C16—S3 | 110.5 (5) | C13—O8—Rh3 | 113.6 (3) |
F7—C16—S3 | 111.3 (5) | C14—O9—Rh3 | 112.2 (3) |
C21—C17—C18 | 108.0 (5) | S2—O10—Rh2 | 124.6 (2) |
C21—C17—C22 | 125.9 (6) | S3—O13—Rh3 | 123.1 (3) |
C18—C17—C22 | 125.9 (6) | C37—O16—Rh4 | 113.3 (3) |
C21—C17—Rh2 | 71.3 (3) | C38—O17—Rh4 | 113.4 (3) |
C18—C17—Rh2 | 71.4 (3) | C37—O18—Rh5 | 113.4 (3) |
C22—C17—Rh2 | 126.5 (4) | C38—O19—Rh5 | 113.5 (3) |
C19—C18—C17 | 107.4 (5) | S4—O20—Rh4 | 125.1 (2) |
C19—C18—C23 | 126.7 (6) | S5—O23—Rh5 | 124.3 (2) |
C17—C18—C23 | 126.0 (6) | O4—S1—O5 | 116.9 (3) |
C19—C18—Rh2 | 70.8 (3) | O4—S1—O3 | 114.1 (3) |
C17—C18—Rh2 | 68.9 (3) | O5—S1—O3 | 113.9 (3) |
C23—C18—Rh2 | 124.6 (4) | O4—S1—C2 | 104.3 (3) |
C18—C19—C20 | 108.7 (5) | O5—S1—C2 | 104.2 (3) |
C18—C19—C24 | 126.6 (6) | O3—S1—C2 | 101.0 (3) |
C20—C19—C24 | 124.7 (6) | O12—S2—O11 | 117.0 (3) |
C18—C19—Rh2 | 70.2 (3) | O12—S2—O10 | 114.1 (3) |
C20—C19—Rh2 | 69.7 (3) | O11—S2—O10 | 113.7 (2) |
C24—C19—Rh2 | 123.9 (4) | O12—S2—C15 | 104.1 (3) |
C21—C20—C19 | 106.9 (5) | O11—S2—C15 | 104.1 (3) |
C21—C20—C25 | 125.1 (6) | O10—S2—C15 | 101.4 (3) |
C19—C20—C25 | 127.8 (6) | O13—S3—O14 | 113.8 (3) |
C21—C20—Rh2 | 70.3 (3) | O13—S3—O15 | 113.6 (3) |
C19—C20—Rh2 | 71.0 (3) | O14—S3—O15 | 118.4 (4) |
C25—C20—Rh2 | 127.0 (4) | O13—S3—C16 | 101.6 (3) |
C17—C21—C20 | 109.0 (5) | O14—S3—C16 | 103.9 (3) |
C17—C21—C26 | 124.4 (6) | O15—S3—C16 | 102.7 (3) |
C20—C21—C26 | 126.5 (6) | O21—S4—O22 | 117.4 (3) |
C17—C21—Rh2 | 69.5 (3) | O21—S4—O20 | 113.5 (3) |
C20—C21—Rh2 | 70.4 (3) | O22—S4—O20 | 114.5 (2) |
C26—C21—Rh2 | 122.9 (4) | O21—S4—C39 | 103.4 (3) |
C17—C22—H22A | 109.5 | O22—S4—C39 | 103.8 (3) |
C17—C22—H22B | 109.5 | O20—S4—C39 | 101.7 (3) |
H22A—C22—H22B | 109.5 | O24—S5—O25 | 117.4 (3) |
C17—C22—H22C | 109.5 | O24—S5—O23 | 113.3 (3) |
H22A—C22—H22C | 109.5 | O25—S5—O23 | 114.4 (3) |
H22B—C22—H22C | 109.5 | O24—S5—C40 | 104.8 (3) |
C18—C23—H23A | 109.5 | O25—S5—C40 | 104.1 (3) |
C18—C23—H23B | 109.5 | O23—S5—C40 | 100.3 (3) |
H23A—C23—H23B | 109.5 | C5—Rh1—O2 | 108.95 (18) |
C18—C23—H23C | 109.5 | C5—Rh1—O1 | 107.42 (18) |
H23A—C23—H23C | 109.5 | O2—Rh1—O1 | 78.27 (13) |
H23B—C23—H23C | 109.5 | C5—Rh1—C6 | 39.4 (2) |
C19—C24—H24A | 109.5 | O2—Rh1—C6 | 146.48 (19) |
C19—C24—H24B | 109.5 | O1—Rh1—C6 | 99.01 (18) |
H24A—C24—H24B | 109.5 | C5—Rh1—C4 | 39.7 (2) |
C19—C24—H24C | 109.5 | O2—Rh1—C4 | 96.07 (16) |
H24A—C24—H24C | 109.5 | O1—Rh1—C4 | 143.24 (18) |
H24B—C24—H24C | 109.5 | C6—Rh1—C4 | 66.0 (2) |
C20—C25—H25A | 109.5 | C5—Rh1—C3 | 66.7 (2) |
C20—C25—H25B | 109.5 | O2—Rh1—C3 | 117.87 (18) |
H25A—C25—H25B | 109.5 | O1—Rh1—C3 | 163.71 (17) |
C20—C25—H25C | 109.5 | C6—Rh1—C3 | 66.5 (2) |
H25A—C25—H25C | 109.5 | C4—Rh1—C3 | 39.2 (2) |
H25B—C25—H25C | 109.5 | C5—Rh1—C7 | 66.6 (2) |
C21—C26—H26A | 109.5 | O2—Rh1—C7 | 157.93 (18) |
C21—C26—H26B | 109.5 | O1—Rh1—C7 | 123.80 (18) |
H26A—C26—H26B | 109.5 | C6—Rh1—C7 | 39.5 (2) |
C21—C26—H26C | 109.5 | C4—Rh1—C7 | 66.3 (2) |
H26A—C26—H26C | 109.5 | C3—Rh1—C7 | 40.1 (2) |
H26B—C26—H26C | 109.5 | C5—Rh1—O3 | 163.43 (19) |
C31—C27—C28 | 107.2 (5) | O2—Rh1—O3 | 81.56 (15) |
C31—C27—C32 | 126.1 (6) | O1—Rh1—O3 | 86.96 (14) |
C28—C27—C32 | 126.5 (6) | C6—Rh1—O3 | 131.9 (2) |
C31—C27—Rh3 | 71.2 (3) | C4—Rh1—O3 | 128.56 (18) |
C28—C27—Rh3 | 71.3 (3) | C3—Rh1—O3 | 97.24 (18) |
C32—C27—Rh3 | 126.4 (4) | C7—Rh1—O3 | 98.80 (19) |
C29—C28—C27 | 108.3 (5) | C17—Rh2—C21 | 39.3 (2) |
C29—C28—C33 | 126.1 (6) | C17—Rh2—C20 | 66.6 (2) |
C27—C28—C33 | 125.6 (7) | C21—Rh2—C20 | 39.3 (2) |
C29—C28—Rh3 | 70.2 (3) | C17—Rh2—O6 | 116.64 (19) |
C27—C28—Rh3 | 68.9 (3) | C21—Rh2—O6 | 95.33 (18) |
C33—C28—Rh3 | 125.1 (4) | C20—Rh2—O6 | 108.69 (19) |
C28—C29—C30 | 107.9 (5) | C17—Rh2—C18 | 39.6 (2) |
C28—C29—C34 | 128.2 (7) | C21—Rh2—C18 | 65.7 (2) |
C30—C29—C34 | 123.9 (7) | C20—Rh2—C18 | 66.3 (2) |
C28—C29—Rh3 | 70.7 (3) | O6—Rh2—C18 | 156.26 (19) |
C30—C29—Rh3 | 70.5 (3) | C17—Rh2—C19 | 65.9 (2) |
C34—C29—Rh3 | 124.7 (4) | C21—Rh2—C19 | 65.3 (2) |
C31—C30—C29 | 107.7 (5) | C20—Rh2—C19 | 39.3 (2) |
C31—C30—C35 | 125.8 (6) | O6—Rh2—C19 | 146.7 (2) |
C29—C30—C35 | 126.4 (6) | C18—Rh2—C19 | 39.1 (2) |
C31—C30—Rh3 | 70.4 (3) | C17—Rh2—O7 | 100.79 (18) |
C29—C30—Rh3 | 69.9 (3) | C21—Rh2—O7 | 131.27 (19) |
C35—C30—Rh3 | 125.9 (4) | C20—Rh2—O7 | 167.11 (19) |
C30—C31—C27 | 108.8 (5) | O6—Rh2—O7 | 78.63 (13) |
C30—C31—C36 | 126.5 (6) | C18—Rh2—O7 | 102.65 (19) |
C27—C31—C36 | 124.7 (6) | C19—Rh2—O7 | 134.7 (2) |
C30—C31—Rh3 | 70.8 (3) | C17—Rh2—O10 | 156.14 (19) |
C27—C31—Rh3 | 69.1 (3) | C21—Rh2—O10 | 148.0 (2) |
C36—C31—Rh3 | 124.3 (4) | C20—Rh2—O10 | 109.91 (19) |
C27—C32—H32A | 109.5 | O6—Rh2—O10 | 87.09 (14) |
C27—C32—H32B | 109.5 | C18—Rh2—O10 | 116.6 (2) |
H32A—C32—H32B | 109.5 | C19—Rh2—O10 | 95.96 (19) |
C27—C32—H32C | 109.5 | O7—Rh2—O10 | 80.55 (14) |
H32A—C32—H32C | 109.5 | C27—Rh3—O8 | 106.46 (19) |
H32B—C32—H32C | 109.5 | C27—Rh3—C29 | 66.6 (2) |
C28—C33—H33A | 109.5 | O8—Rh3—C29 | 159.4 (2) |
C28—C33—H33B | 109.5 | C27—Rh3—C31 | 39.7 (2) |
H33A—C33—H33B | 109.5 | O8—Rh3—C31 | 96.12 (18) |
C28—C33—H33C | 109.5 | C29—Rh3—C31 | 65.8 (2) |
H33A—C33—H33C | 109.5 | C27—Rh3—C28 | 39.8 (2) |
H33B—C33—H33C | 109.5 | O8—Rh3—C28 | 143.9 (2) |
C29—C34—H34A | 109.5 | C29—Rh3—C28 | 39.0 (2) |
C29—C34—H34B | 109.5 | C31—Rh3—C28 | 65.8 (2) |
H34A—C34—H34B | 109.5 | C27—Rh3—C30 | 66.4 (2) |
C29—C34—H34C | 109.5 | O8—Rh3—C30 | 119.82 (19) |
H34A—C34—H34C | 109.5 | C29—Rh3—C30 | 39.7 (2) |
H34B—C34—H34C | 109.5 | C31—Rh3—C30 | 38.8 (2) |
C30—C35—H35A | 109.5 | C28—Rh3—C30 | 65.9 (2) |
C30—C35—H35B | 109.5 | C27—Rh3—O9 | 109.00 (19) |
H35A—C35—H35B | 109.5 | O8—Rh3—O9 | 78.37 (13) |
C30—C35—H35C | 109.5 | C29—Rh3—O9 | 122.1 (2) |
H35A—C35—H35C | 109.5 | C31—Rh3—O9 | 145.8 (2) |
H35B—C35—H35C | 109.5 | C28—Rh3—O9 | 98.96 (18) |
C31—C36—H36A | 109.5 | C30—Rh3—O9 | 161.76 (19) |
C31—C36—H36B | 109.5 | C27—Rh3—O13 | 162.48 (19) |
H36A—C36—H36B | 109.5 | O8—Rh3—O13 | 89.70 (14) |
C31—C36—H36C | 109.5 | C29—Rh3—O13 | 95.9 (2) |
H36A—C36—H36C | 109.5 | C31—Rh3—O13 | 133.7 (2) |
H36B—C36—H36C | 109.5 | C28—Rh3—O13 | 125.7 (2) |
O16—C37—O18 | 125.2 (5) | C30—Rh3—O13 | 99.9 (2) |
O16—C37—C38 | 117.4 (5) | O9—Rh3—O13 | 80.39 (15) |
O18—C37—C38 | 117.3 (5) | C41—Rh4—C45 | 39.8 (2) |
O19—C38—O17 | 125.2 (5) | C41—Rh4—C42 | 39.5 (2) |
O19—C38—C37 | 117.6 (5) | C45—Rh4—C42 | 65.8 (2) |
O17—C38—C37 | 117.2 (5) | C41—Rh4—O16 | 104.84 (19) |
F10—C39—F12 | 106.7 (5) | C45—Rh4—O16 | 96.54 (19) |
F10—C39—F11 | 107.1 (5) | C42—Rh4—O16 | 141.17 (18) |
F12—C39—F11 | 106.7 (5) | C41—Rh4—O17 | 107.91 (19) |
F10—C39—S4 | 112.0 (4) | C45—Rh4—O17 | 145.4 (2) |
F12—C39—S4 | 111.5 (4) | C42—Rh4—O17 | 96.74 (17) |
F11—C39—S4 | 112.6 (4) | O16—Rh4—O17 | 78.36 (13) |
F14—C40—F15 | 108.3 (6) | C41—Rh4—C44 | 66.6 (2) |
F14—C40—F13 | 107.4 (5) | C45—Rh4—C44 | 39.4 (2) |
F15—C40—F13 | 105.5 (5) | C42—Rh4—C44 | 65.6 (2) |
F14—C40—S5 | 112.7 (4) | O16—Rh4—C44 | 122.66 (19) |
F15—C40—S5 | 111.6 (4) | O17—Rh4—C44 | 158.81 (18) |
F13—C40—S5 | 111.1 (4) | C41—Rh4—C43 | 66.4 (2) |
C42—C41—C45 | 107.4 (5) | C45—Rh4—C43 | 66.0 (2) |
C42—C41—C46 | 126.0 (6) | C42—Rh4—C43 | 38.9 (2) |
C45—C41—C46 | 126.5 (6) | O16—Rh4—C43 | 161.43 (18) |
C42—C41—Rh4 | 71.2 (3) | O17—Rh4—C43 | 119.49 (18) |
C45—C41—Rh4 | 70.9 (3) | C44—Rh4—C43 | 39.3 (2) |
C46—C41—Rh4 | 126.2 (4) | C41—Rh4—O20 | 165.70 (19) |
C43—C42—C41 | 109.2 (5) | C45—Rh4—O20 | 131.8 (2) |
C43—C42—C47 | 125.8 (5) | C42—Rh4—O20 | 131.31 (19) |
C41—C42—C47 | 125.0 (5) | O16—Rh4—O20 | 86.67 (14) |
C43—C42—Rh4 | 71.3 (3) | O17—Rh4—O20 | 82.41 (14) |
C41—C42—Rh4 | 69.2 (3) | C44—Rh4—O20 | 100.2 (2) |
C47—C42—Rh4 | 124.4 (4) | C43—Rh4—O20 | 100.08 (19) |
C42—C43—C44 | 107.6 (5) | C53—Rh5—C52 | 40.0 (2) |
C42—C43—C48 | 127.2 (5) | C53—Rh5—C51 | 66.7 (2) |
C44—C43—C48 | 125.2 (6) | C52—Rh5—C51 | 39.2 (2) |
C42—C43—Rh4 | 69.8 (3) | C53—Rh5—O18 | 107.19 (17) |
C44—C43—Rh4 | 70.2 (3) | C52—Rh5—O18 | 144.16 (18) |
C48—C43—Rh4 | 124.5 (4) | C51—Rh5—O18 | 161.25 (18) |
C45—C44—C43 | 107.6 (5) | C53—Rh5—C54 | 39.9 (2) |
C45—C44—C49 | 127.0 (6) | C52—Rh5—C54 | 66.3 (2) |
C43—C44—C49 | 125.4 (6) | C51—Rh5—C54 | 66.1 (2) |
C45—C44—Rh4 | 69.5 (3) | O18—Rh5—C54 | 97.60 (17) |
C43—C44—Rh4 | 70.5 (3) | C53—Rh5—C55 | 66.8 (2) |
C49—C44—Rh4 | 126.6 (4) | C52—Rh5—C55 | 66.0 (2) |
C41—C45—C44 | 108.3 (5) | C51—Rh5—C55 | 39.4 (2) |
C41—C45—C50 | 126.8 (7) | O18—Rh5—C55 | 121.94 (18) |
C44—C45—C50 | 124.8 (7) | C54—Rh5—C55 | 39.3 (2) |
C41—C45—Rh4 | 69.3 (3) | C53—Rh5—O19 | 103.60 (17) |
C44—C45—Rh4 | 71.1 (3) | C52—Rh5—O19 | 94.46 (17) |
C50—C45—Rh4 | 123.1 (5) | C51—Rh5—O19 | 120.26 (18) |
C41—C46—H46A | 109.5 | O18—Rh5—O19 | 78.08 (13) |
C41—C46—H46B | 109.5 | C54—Rh5—O19 | 140.80 (18) |
H46A—C46—H46B | 109.5 | C55—Rh5—O19 | 159.13 (18) |
C41—C46—H46C | 109.5 | C53—Rh5—O23 | 164.74 (18) |
H46A—C46—H46C | 109.5 | C52—Rh5—O23 | 131.50 (19) |
H46B—C46—H46C | 109.5 | C51—Rh5—O23 | 99.46 (19) |
C42—C47—H47A | 109.5 | O18—Rh5—O23 | 83.80 (15) |
C42—C47—H47B | 109.5 | C54—Rh5—O23 | 129.85 (18) |
H47A—C47—H47B | 109.5 | C55—Rh5—O23 | 98.58 (18) |
C42—C47—H47C | 109.5 | O19—Rh5—O23 | 88.81 (14) |
C8—C3—C4—C5 | −177.5 (5) | C26—C21—Rh2—C19 | −160.0 (6) |
C7—C3—C4—C5 | 1.7 (6) | C17—C21—Rh2—O7 | −47.1 (4) |
Rh1—C3—C4—C5 | −58.8 (4) | C20—C21—Rh2—O7 | −167.3 (3) |
C8—C3—C4—C9 | 0.1 (9) | C26—C21—Rh2—O7 | 71.3 (6) |
C7—C3—C4—C9 | 179.3 (5) | C17—C21—Rh2—O10 | 140.3 (4) |
Rh1—C3—C4—C9 | 118.8 (5) | C20—C21—Rh2—O10 | 20.2 (6) |
C8—C3—C4—Rh1 | −118.7 (6) | C26—C21—Rh2—O10 | −101.3 (6) |
C7—C3—C4—Rh1 | 60.5 (4) | C21—C20—Rh2—C17 | 36.6 (3) |
C3—C4—C5—C6 | −2.4 (6) | C19—C20—Rh2—C17 | −80.1 (4) |
C9—C4—C5—C6 | 179.8 (5) | C25—C20—Rh2—C17 | 156.3 (7) |
Rh1—C4—C5—C6 | −62.2 (4) | C19—C20—Rh2—C21 | −116.8 (5) |
C3—C4—C5—C10 | −177.3 (5) | C25—C20—Rh2—C21 | 119.7 (8) |
C9—C4—C5—C10 | 5.0 (8) | C21—C20—Rh2—O6 | −75.0 (4) |
Rh1—C4—C5—C10 | 123.0 (5) | C19—C20—Rh2—O6 | 168.2 (3) |
C3—C4—C5—Rh1 | 59.7 (4) | C25—C20—Rh2—O6 | 44.7 (6) |
C9—C4—C5—Rh1 | −118.0 (5) | C21—C20—Rh2—C18 | 80.0 (4) |
C4—C5—C6—C7 | 2.2 (6) | C19—C20—Rh2—C18 | −36.7 (3) |
C10—C5—C6—C7 | 176.9 (5) | C25—C20—Rh2—C18 | −160.2 (7) |
Rh1—C5—C6—C7 | −59.8 (4) | C21—C20—Rh2—C19 | 116.8 (5) |
C4—C5—C6—C11 | −179.9 (5) | C25—C20—Rh2—C19 | −123.5 (8) |
C10—C5—C6—C11 | −5.2 (10) | C21—C20—Rh2—O7 | 48.0 (10) |
Rh1—C5—C6—C11 | 118.0 (6) | C19—C20—Rh2—O7 | −68.7 (10) |
C4—C5—C6—Rh1 | 62.1 (4) | C25—C20—Rh2—O7 | 167.7 (7) |
C10—C5—C6—Rh1 | −123.3 (6) | C21—C20—Rh2—O10 | −168.8 (3) |
C5—C6—C7—C3 | −1.2 (6) | C19—C20—Rh2—O10 | 74.4 (4) |
C11—C6—C7—C3 | −179.1 (5) | C25—C20—Rh2—O10 | −49.1 (6) |
Rh1—C6—C7—C3 | −60.2 (4) | C13—O6—Rh2—C17 | 101.6 (4) |
C5—C6—C7—C12 | −178.9 (5) | C13—O6—Rh2—C21 | 136.2 (4) |
C11—C6—C7—C12 | 3.2 (9) | C13—O6—Rh2—C20 | 174.1 (4) |
Rh1—C6—C7—C12 | 122.1 (6) | C13—O6—Rh2—C18 | 100.8 (5) |
C5—C6—C7—Rh1 | 59.0 (4) | C13—O6—Rh2—C19 | −172.2 (4) |
C11—C6—C7—Rh1 | −118.9 (6) | C13—O6—Rh2—O7 | 5.1 (3) |
C4—C3—C7—C6 | −0.3 (6) | C13—O6—Rh2—O10 | −75.8 (3) |
C8—C3—C7—C6 | 178.9 (5) | C19—C18—Rh2—C17 | 118.3 (5) |
Rh1—C3—C7—C6 | 60.3 (4) | C23—C18—Rh2—C17 | −119.9 (7) |
C4—C3—C7—C12 | 177.4 (5) | C19—C18—Rh2—C21 | 80.2 (4) |
C8—C3—C7—C12 | −3.4 (9) | C17—C18—Rh2—C21 | −38.1 (3) |
Rh1—C3—C7—C12 | −122.0 (6) | C23—C18—Rh2—C21 | −158.0 (7) |
C4—C3—C7—Rh1 | −60.6 (4) | C19—C18—Rh2—C20 | 36.9 (3) |
C8—C3—C7—Rh1 | 118.6 (5) | C17—C18—Rh2—C20 | −81.3 (4) |
O8—C13—C14—O9 | −7.2 (7) | C23—C18—Rh2—C20 | 158.8 (7) |
O6—C13—C14—O9 | 174.3 (4) | C19—C18—Rh2—O6 | 119.5 (5) |
O8—C13—C14—O7 | 173.0 (4) | C17—C18—Rh2—O6 | 1.2 (7) |
O6—C13—C14—O7 | −5.5 (7) | C23—C18—Rh2—O6 | −118.7 (6) |
C21—C17—C18—C19 | 1.7 (6) | C17—C18—Rh2—C19 | −118.3 (5) |
C22—C17—C18—C19 | 177.3 (6) | C23—C18—Rh2—C19 | 121.8 (7) |
Rh2—C17—C18—C19 | −60.6 (4) | C19—C18—Rh2—O7 | −150.0 (3) |
C21—C17—C18—C23 | −179.5 (6) | C17—C18—Rh2—O7 | 91.7 (3) |
C22—C17—C18—C23 | −3.9 (10) | C23—C18—Rh2—O7 | −28.2 (6) |
Rh2—C17—C18—C23 | 118.2 (6) | C19—C18—Rh2—O10 | −64.4 (4) |
C21—C17—C18—Rh2 | 62.3 (4) | C17—C18—Rh2—O10 | 177.4 (3) |
C22—C17—C18—Rh2 | −122.1 (6) | C23—C18—Rh2—O10 | 57.5 (6) |
C17—C18—C19—C20 | 0.2 (6) | C18—C19—Rh2—C17 | −38.0 (3) |
C23—C18—C19—C20 | −178.6 (6) | C20—C19—Rh2—C17 | 81.8 (4) |
Rh2—C18—C19—C20 | −59.3 (4) | C24—C19—Rh2—C17 | −159.4 (7) |
C17—C18—C19—C24 | 177.5 (6) | C18—C19—Rh2—C21 | −81.2 (4) |
C23—C18—C19—C24 | −1.3 (10) | C20—C19—Rh2—C21 | 38.5 (3) |
Rh2—C18—C19—C24 | 118.0 (6) | C24—C19—Rh2—C21 | 157.4 (7) |
C17—C18—C19—Rh2 | 59.5 (4) | C18—C19—Rh2—C20 | −119.8 (5) |
C23—C18—C19—Rh2 | −119.3 (6) | C24—C19—Rh2—C20 | 118.8 (8) |
C18—C19—C20—C21 | −1.9 (6) | C18—C19—Rh2—O6 | −140.4 (4) |
C24—C19—C20—C21 | −179.3 (5) | C20—C19—Rh2—O6 | −20.6 (5) |
Rh2—C19—C20—C21 | −61.5 (4) | C24—C19—Rh2—O6 | 98.2 (7) |
C18—C19—C20—C25 | −177.9 (6) | C20—C19—Rh2—C18 | 119.8 (5) |
C24—C19—C20—C25 | 4.7 (10) | C24—C19—Rh2—C18 | −121.4 (8) |
Rh2—C19—C20—C25 | 122.5 (6) | C18—C19—Rh2—O7 | 43.3 (4) |
C18—C19—C20—Rh2 | 59.5 (4) | C20—C19—Rh2—O7 | 163.0 (3) |
C24—C19—C20—Rh2 | −117.8 (6) | C24—C19—Rh2—O7 | −78.2 (7) |
C18—C17—C21—C20 | −2.9 (6) | C18—C19—Rh2—O10 | 125.9 (3) |
C22—C17—C21—C20 | −178.5 (5) | C20—C19—Rh2—O10 | −114.4 (3) |
Rh2—C17—C21—C20 | 59.5 (4) | C24—C19—Rh2—O10 | 4.4 (6) |
C18—C17—C21—C26 | −178.9 (5) | C14—O7—Rh2—C17 | −123.4 (4) |
C22—C17—C21—C26 | 5.5 (9) | C14—O7—Rh2—C21 | −95.2 (4) |
Rh2—C17—C21—C26 | −116.5 (6) | C14—O7—Rh2—C20 | −134.1 (9) |
C18—C17—C21—Rh2 | −62.4 (4) | C14—O7—Rh2—O6 | −8.1 (3) |
C22—C17—C21—Rh2 | 122.0 (6) | C14—O7—Rh2—C18 | −163.9 (4) |
C19—C20—C21—C17 | 3.0 (6) | C14—O7—Rh2—C19 | 169.8 (3) |
C25—C20—C21—C17 | 179.1 (5) | C14—O7—Rh2—O10 | 80.8 (3) |
Rh2—C20—C21—C17 | −58.9 (4) | S2—O10—Rh2—C17 | 140.6 (4) |
C19—C20—C21—C26 | 178.9 (6) | S2—O10—Rh2—C21 | 50.3 (5) |
C25—C20—C21—C26 | −5.0 (9) | S2—O10—Rh2—C20 | 63.7 (3) |
Rh2—C20—C21—C26 | 116.9 (6) | S2—O10—Rh2—O6 | −45.1 (3) |
C19—C20—C21—Rh2 | 61.9 (4) | S2—O10—Rh2—C18 | 136.4 (3) |
C25—C20—C21—Rh2 | −122.0 (6) | S2—O10—Rh2—C19 | 101.5 (3) |
C31—C27—C28—C29 | 3.2 (6) | S2—O10—Rh2—O7 | −124.1 (3) |
C32—C27—C28—C29 | 178.6 (6) | C31—C27—Rh3—O8 | 79.5 (3) |
Rh3—C27—C28—C29 | −59.4 (4) | C28—C27—Rh3—O8 | −164.1 (3) |
C31—C27—C28—C33 | −178.6 (6) | C32—C27—Rh3—O8 | −42.0 (6) |
C32—C27—C28—C33 | −3.2 (10) | C31—C27—Rh3—C29 | −79.8 (4) |
Rh3—C27—C28—C33 | 118.8 (6) | C28—C27—Rh3—C29 | 36.6 (4) |
C31—C27—C28—Rh3 | 62.6 (4) | C32—C27—Rh3—C29 | 158.6 (7) |
C32—C27—C28—Rh3 | −122.0 (6) | C28—C27—Rh3—C31 | 116.4 (5) |
C27—C28—C29—C30 | −2.4 (6) | C32—C27—Rh3—C31 | −121.5 (7) |
C33—C28—C29—C30 | 179.4 (6) | C31—C27—Rh3—C28 | −116.4 (5) |
Rh3—C28—C29—C30 | −61.0 (4) | C32—C27—Rh3—C28 | 122.1 (8) |
C27—C28—C29—C34 | 178.1 (6) | C31—C27—Rh3—C30 | −36.4 (3) |
C33—C28—C29—C34 | −0.1 (10) | C28—C27—Rh3—C30 | 80.0 (4) |
Rh3—C28—C29—C34 | 119.5 (6) | C32—C27—Rh3—C30 | −157.9 (7) |
C27—C28—C29—Rh3 | 58.6 (4) | C31—C27—Rh3—O9 | 162.6 (3) |
C33—C28—C29—Rh3 | −119.6 (6) | C28—C27—Rh3—O9 | −81.0 (4) |
C28—C29—C30—C31 | 0.7 (6) | C32—C27—Rh3—O9 | 41.1 (6) |
C34—C29—C30—C31 | −179.8 (6) | C31—C27—Rh3—O13 | −77.1 (7) |
Rh3—C29—C30—C31 | −60.5 (4) | C28—C27—Rh3—O13 | 39.3 (8) |
C28—C29—C30—C35 | −178.5 (6) | C32—C27—Rh3—O13 | 161.3 (6) |
C34—C29—C30—C35 | 1.1 (9) | C13—O8—Rh3—C27 | 111.1 (4) |
Rh3—C29—C30—C35 | 120.4 (6) | C13—O8—Rh3—C29 | 178.0 (6) |
C28—C29—C30—Rh3 | 61.1 (4) | C13—O8—Rh3—C31 | 150.3 (4) |
C34—C29—C30—Rh3 | −119.3 (6) | C13—O8—Rh3—C28 | 93.7 (4) |
C29—C30—C31—C27 | 1.4 (6) | C13—O8—Rh3—C30 | −177.1 (4) |
C35—C30—C31—C27 | −179.5 (6) | C13—O8—Rh3—O9 | 4.4 (3) |
Rh3—C30—C31—C27 | −58.8 (4) | C13—O8—Rh3—O13 | −75.8 (4) |
C29—C30—C31—C36 | 179.1 (5) | C28—C29—Rh3—C27 | −37.2 (3) |
C35—C30—C31—C36 | −1.8 (9) | C30—C29—Rh3—C27 | 80.8 (4) |
Rh3—C30—C31—C36 | 119.0 (6) | C34—C29—Rh3—C27 | −160.9 (7) |
C29—C30—C31—Rh3 | 60.1 (4) | C28—C29—Rh3—O8 | −111.3 (6) |
C35—C30—C31—Rh3 | −120.7 (6) | C30—C29—Rh3—O8 | 6.7 (8) |
C28—C27—C31—C30 | −2.8 (6) | C34—C29—Rh3—O8 | 125.0 (7) |
C32—C27—C31—C30 | −178.3 (6) | C28—C29—Rh3—C31 | −80.8 (4) |
Rh3—C27—C31—C30 | 59.9 (4) | C30—C29—Rh3—C31 | 37.2 (3) |
C28—C27—C31—C36 | 179.4 (5) | C34—C29—Rh3—C31 | 155.5 (7) |
C32—C27—C31—C36 | 3.9 (9) | C30—C29—Rh3—C28 | 118.0 (5) |
Rh3—C27—C31—C36 | −117.9 (5) | C34—C29—Rh3—C28 | −123.7 (8) |
C28—C27—C31—Rh3 | −62.7 (4) | C28—C29—Rh3—C30 | −118.0 (5) |
C32—C27—C31—Rh3 | 121.9 (6) | C34—C29—Rh3—C30 | 118.3 (8) |
O16—C37—C38—O19 | −179.4 (4) | C28—C29—Rh3—O9 | 61.2 (4) |
O18—C37—C38—O19 | 0.6 (7) | C30—C29—Rh3—O9 | 179.2 (3) |
O16—C37—C38—O17 | −0.4 (7) | C34—C29—Rh3—O9 | −62.5 (7) |
O18—C37—C38—O17 | 179.7 (4) | C28—C29—Rh3—O13 | 143.6 (3) |
C45—C41—C42—C43 | −1.8 (6) | C30—C29—Rh3—O13 | −98.4 (3) |
C46—C41—C42—C43 | −178.0 (6) | C34—C29—Rh3—O13 | 19.9 (7) |
Rh4—C41—C42—C43 | 60.4 (4) | C30—C31—Rh3—C27 | −119.9 (5) |
C45—C41—C42—C47 | 179.7 (5) | C36—C31—Rh3—C27 | 118.5 (7) |
C46—C41—C42—C47 | 3.5 (9) | C30—C31—Rh3—O8 | 131.7 (3) |
Rh4—C41—C42—C47 | −118.2 (5) | C27—C31—Rh3—O8 | −108.5 (3) |
C45—C41—C42—Rh4 | −62.1 (4) | C36—C31—Rh3—O8 | 10.1 (6) |
C46—C41—C42—Rh4 | 121.7 (6) | C30—C31—Rh3—C29 | −38.0 (4) |
C41—C42—C43—C44 | 1.2 (6) | C27—C31—Rh3—C29 | 81.9 (4) |
C47—C42—C43—C44 | 179.7 (5) | C36—C31—Rh3—C29 | −159.6 (7) |
Rh4—C42—C43—C44 | 60.3 (4) | C30—C31—Rh3—C28 | −81.0 (4) |
C41—C42—C43—C48 | −177.6 (5) | C27—C31—Rh3—C28 | 38.9 (3) |
C47—C42—C43—C48 | 0.9 (9) | C36—C31—Rh3—C28 | 157.4 (7) |
Rh4—C42—C43—C48 | −118.6 (6) | C27—C31—Rh3—C30 | 119.9 (5) |
C41—C42—C43—Rh4 | −59.1 (4) | C36—C31—Rh3—C30 | −121.6 (7) |
C47—C42—C43—Rh4 | 119.4 (6) | C30—C31—Rh3—O9 | −150.1 (3) |
C42—C43—C44—C45 | −0.2 (6) | C27—C31—Rh3—O9 | −30.2 (5) |
C48—C43—C44—C45 | 178.7 (5) | C36—C31—Rh3—O9 | 88.3 (6) |
Rh4—C43—C44—C45 | 59.8 (4) | C30—C31—Rh3—O13 | 36.2 (4) |
C42—C43—C44—C49 | 178.3 (5) | C27—C31—Rh3—O13 | 156.1 (3) |
C48—C43—C44—C49 | −2.8 (9) | C36—C31—Rh3—O13 | −85.4 (6) |
Rh4—C43—C44—C49 | −121.6 (6) | C29—C28—Rh3—C27 | 119.7 (5) |
C42—C43—C44—Rh4 | −60.0 (4) | C33—C28—Rh3—C27 | −119.4 (8) |
C48—C43—C44—Rh4 | 118.9 (6) | C29—C28—Rh3—O8 | 146.2 (3) |
C42—C41—C45—C44 | 1.6 (6) | C27—C28—Rh3—O8 | 26.5 (5) |
C46—C41—C45—C44 | 177.8 (6) | C33—C28—Rh3—O8 | −92.9 (7) |
Rh4—C41—C45—C44 | −60.7 (4) | C27—C28—Rh3—C29 | −119.7 (5) |
C42—C41—C45—C50 | 178.8 (6) | C33—C28—Rh3—C29 | 120.9 (8) |
C46—C41—C45—C50 | −5.0 (10) | C29—C28—Rh3—C31 | 80.9 (4) |
Rh4—C41—C45—C50 | 116.5 (6) | C27—C28—Rh3—C31 | −38.9 (3) |
C42—C41—C45—Rh4 | 62.3 (4) | C33—C28—Rh3—C31 | −158.3 (7) |
C46—C41—C45—Rh4 | −121.5 (6) | C29—C28—Rh3—C30 | 38.2 (4) |
C43—C44—C45—C41 | −0.8 (6) | C27—C28—Rh3—C30 | −81.6 (4) |
C49—C44—C45—C41 | −179.4 (6) | C33—C28—Rh3—C30 | 159.0 (7) |
Rh4—C44—C45—C41 | 59.6 (4) | C29—C28—Rh3—O9 | −131.3 (3) |
C43—C44—C45—C50 | −178.1 (6) | C27—C28—Rh3—O9 | 109.0 (3) |
C49—C44—C45—C50 | 3.3 (10) | C33—C28—Rh3—O9 | −10.4 (7) |
Rh4—C44—C45—C50 | −117.7 (6) | C29—C28—Rh3—O13 | −46.7 (4) |
C43—C44—C45—Rh4 | −60.4 (4) | C27—C28—Rh3—O13 | −166.4 (3) |
C49—C44—C45—Rh4 | 121.0 (6) | C33—C28—Rh3—O13 | 74.2 (7) |
C55—C51—C52—C53 | 2.3 (6) | C31—C30—Rh3—C27 | 37.2 (3) |
C56—C51—C52—C53 | −179.3 (5) | C29—C30—Rh3—C27 | −81.2 (4) |
Rh5—C51—C52—C53 | −58.7 (4) | C35—C30—Rh3—C27 | 157.8 (7) |
C55—C51—C52—C57 | 178.4 (5) | C31—C30—Rh3—O8 | −58.9 (4) |
C56—C51—C52—C57 | −3.2 (9) | C29—C30—Rh3—O8 | −177.3 (3) |
Rh5—C51—C52—C57 | 117.4 (6) | C35—C30—Rh3—O8 | 61.7 (7) |
C55—C51—C52—Rh5 | 61.0 (4) | C31—C30—Rh3—C29 | 118.4 (5) |
C56—C51—C52—Rh5 | −120.6 (6) | C35—C30—Rh3—C29 | −121.0 (8) |
C51—C52—C53—C54 | −3.3 (6) | C29—C30—Rh3—C31 | −118.4 (5) |
C57—C52—C53—C54 | −179.5 (5) | C35—C30—Rh3—C31 | 120.6 (8) |
Rh5—C52—C53—C54 | −63.1 (3) | C31—C30—Rh3—C28 | 80.9 (4) |
C51—C52—C53—C58 | 179.9 (5) | C29—C30—Rh3—C28 | −37.5 (3) |
C57—C52—C53—C58 | 3.8 (9) | C35—C30—Rh3—C28 | −158.6 (7) |
Rh5—C52—C53—C58 | 120.2 (6) | C31—C30—Rh3—O9 | 116.3 (6) |
C51—C52—C53—Rh5 | 59.7 (4) | C29—C30—Rh3—O9 | −2.1 (8) |
C57—C52—C53—Rh5 | −116.4 (6) | C35—C30—Rh3—O9 | −123.1 (7) |
C52—C53—C54—C55 | 3.1 (6) | C31—C30—Rh3—O13 | −154.3 (3) |
C58—C53—C54—C55 | 179.9 (5) | C29—C30—Rh3—O13 | 87.3 (4) |
Rh5—C53—C54—C55 | −59.5 (4) | C35—C30—Rh3—O13 | −33.7 (7) |
C52—C53—C54—C59 | −178.4 (5) | C14—O9—Rh3—C27 | −111.9 (4) |
C58—C53—C54—C59 | −1.6 (9) | C14—O9—Rh3—O8 | −8.3 (3) |
Rh5—C53—C54—C59 | 119.0 (5) | C14—O9—Rh3—C29 | 174.4 (3) |
C52—C53—C54—Rh5 | 62.6 (4) | C14—O9—Rh3—C31 | −92.0 (4) |
C58—C53—C54—Rh5 | −120.6 (5) | C14—O9—Rh3—C28 | −151.7 (4) |
C52—C51—C55—C54 | −0.3 (6) | C14—O9—Rh3—C30 | 175.9 (6) |
C56—C51—C55—C54 | −178.8 (5) | C14—O9—Rh3—O13 | 83.4 (3) |
Rh5—C51—C55—C54 | 60.3 (4) | S3—O13—Rh3—C27 | 128.8 (6) |
C52—C51—C55—C60 | 178.6 (5) | S3—O13—Rh3—O8 | −28.8 (3) |
C56—C51—C55—C60 | 0.2 (9) | S3—O13—Rh3—C29 | 131.3 (3) |
Rh5—C51—C55—C60 | −120.8 (6) | S3—O13—Rh3—C31 | 69.4 (4) |
C52—C51—C55—Rh5 | −60.6 (4) | S3—O13—Rh3—C28 | 158.7 (3) |
C56—C51—C55—Rh5 | 121.0 (6) | S3—O13—Rh3—C30 | 91.4 (3) |
C53—C54—C55—C51 | −1.7 (6) | S3—O13—Rh3—O9 | −107.1 (3) |
C59—C54—C55—C51 | 179.8 (5) | C42—C41—Rh4—C45 | −116.8 (5) |
Rh5—C54—C55—C51 | −59.8 (4) | C46—C41—Rh4—C45 | 121.8 (7) |
C53—C54—C55—C60 | 179.3 (5) | C45—C41—Rh4—C42 | 116.8 (5) |
C59—C54—C55—C60 | 0.8 (9) | C46—C41—Rh4—C42 | −121.4 (7) |
Rh5—C54—C55—C60 | 121.2 (6) | C42—C41—Rh4—O16 | 160.9 (3) |
C53—C54—C55—Rh5 | 58.1 (3) | C45—C41—Rh4—O16 | −82.3 (4) |
C59—C54—C55—Rh5 | −120.4 (5) | C46—C41—Rh4—O16 | 39.5 (6) |
O1i—C1—O2—Rh1 | 172.8 (4) | C42—C41—Rh4—O17 | 78.6 (3) |
C1i—C1—O2—Rh1 | −6.6 (7) | C45—C41—Rh4—O17 | −164.6 (3) |
O8—C13—O6—Rh2 | 179.7 (4) | C46—C41—Rh4—O17 | −42.8 (6) |
C14—C13—O6—Rh2 | −1.9 (5) | C42—C41—Rh4—C44 | −79.5 (4) |
O9—C14—O7—Rh2 | −170.2 (4) | C45—C41—Rh4—C44 | 37.3 (3) |
C13—C14—O7—Rh2 | 9.6 (5) | C46—C41—Rh4—C44 | 159.1 (6) |
O6—C13—O8—Rh3 | 177.8 (4) | C42—C41—Rh4—C43 | −36.5 (3) |
C14—C13—O8—Rh3 | −0.6 (6) | C45—C41—Rh4—C43 | 80.3 (4) |
O7—C14—O9—Rh3 | −169.6 (4) | C46—C41—Rh4—C43 | −157.9 (6) |
C13—C14—O9—Rh3 | 10.5 (5) | C42—C41—Rh4—O20 | −56.3 (9) |
O18—C37—O16—Rh4 | −175.2 (4) | C45—C41—Rh4—O20 | 60.5 (9) |
C38—C37—O16—Rh4 | 4.8 (5) | C46—C41—Rh4—O20 | −177.7 (6) |
O19—C38—O17—Rh4 | 174.7 (4) | C44—C45—Rh4—C41 | 118.9 (5) |
C37—C38—O17—Rh4 | −4.3 (5) | C50—C45—Rh4—C41 | −121.2 (8) |
O16—C37—O18—Rh5 | −179.6 (4) | C41—C45—Rh4—C42 | −38.5 (3) |
C38—C37—O18—Rh5 | 0.3 (5) | C44—C45—Rh4—C42 | 80.4 (4) |
O17—C38—O19—Rh5 | 179.8 (4) | C50—C45—Rh4—C42 | −159.8 (7) |
C37—C38—O19—Rh5 | −1.2 (5) | C41—C45—Rh4—O16 | 105.4 (3) |
Rh1—O3—S1—O4 | −99.5 (3) | C44—C45—Rh4—O16 | −135.7 (3) |
Rh1—O3—S1—O5 | 38.2 (4) | C50—C45—Rh4—O16 | −15.9 (7) |
Rh1—O3—S1—C2 | 149.3 (3) | C41—C45—Rh4—O17 | 26.4 (5) |
F1—C2—S1—O4 | −55.1 (6) | C44—C45—Rh4—O17 | 145.3 (3) |
F2—C2—S1—O4 | −177.0 (5) | C50—C45—Rh4—O17 | −94.8 (7) |
F3—C2—S1—O4 | 65.2 (5) | C41—C45—Rh4—C44 | −118.9 (5) |
F1—C2—S1—O5 | −178.3 (5) | C50—C45—Rh4—C44 | 119.9 (8) |
F2—C2—S1—O5 | 59.9 (5) | C41—C45—Rh4—C43 | −81.3 (4) |
F3—C2—S1—O5 | −57.9 (5) | C44—C45—Rh4—C43 | 37.6 (3) |
F1—C2—S1—O3 | 63.4 (5) | C50—C45—Rh4—C43 | 157.4 (7) |
F2—C2—S1—O3 | −58.4 (5) | C41—C45—Rh4—O20 | −163.2 (3) |
F3—C2—S1—O3 | −176.2 (5) | C44—C45—Rh4—O20 | −44.3 (4) |
Rh2—O10—S2—O12 | 95.4 (3) | C50—C45—Rh4—O20 | 75.5 (7) |
Rh2—O10—S2—O11 | −42.2 (4) | C43—C42—Rh4—C41 | −119.9 (5) |
Rh2—O10—S2—C15 | −153.3 (3) | C47—C42—Rh4—C41 | 118.9 (6) |
F6—C15—S2—O12 | −66.8 (5) | C43—C42—Rh4—C45 | −81.2 (4) |
F4—C15—S2—O12 | 53.1 (5) | C41—C42—Rh4—C45 | 38.7 (4) |
F5—C15—S2—O12 | 173.5 (5) | C47—C42—Rh4—C45 | 157.7 (6) |
F6—C15—S2—O11 | 56.2 (5) | C43—C42—Rh4—O16 | −150.2 (3) |
F4—C15—S2—O11 | 176.2 (5) | C41—C42—Rh4—O16 | −30.3 (5) |
F5—C15—S2—O11 | −63.4 (5) | C47—C42—Rh4—O16 | 88.6 (6) |
F6—C15—S2—O10 | 174.5 (4) | C43—C42—Rh4—O17 | 130.0 (3) |
F4—C15—S2—O10 | −65.6 (5) | C41—C42—Rh4—O17 | −110.1 (3) |
F5—C15—S2—O10 | 54.8 (5) | C47—C42—Rh4—O17 | 8.8 (5) |
Rh3—O13—S3—O14 | 90.4 (4) | C43—C42—Rh4—C44 | −37.8 (3) |
Rh3—O13—S3—O15 | −49.1 (4) | C41—C42—Rh4—C44 | 82.2 (4) |
Rh3—O13—S3—C16 | −158.7 (3) | C47—C42—Rh4—C44 | −158.9 (6) |
F8—C16—S3—O13 | −176.8 (6) | C41—C42—Rh4—C43 | 119.9 (5) |
F9—C16—S3—O13 | 63.2 (6) | C47—C42—Rh4—C43 | −121.2 (6) |
F7—C16—S3—O13 | −57.1 (5) | C43—C42—Rh4—O20 | 44.2 (4) |
F8—C16—S3—O14 | −58.4 (7) | C41—C42—Rh4—O20 | 164.1 (3) |
F9—C16—S3—O14 | −178.5 (5) | C47—C42—Rh4—O20 | −77.0 (5) |
F7—C16—S3—O14 | 61.2 (6) | C37—O16—Rh4—C41 | −111.0 (4) |
F8—C16—S3—O15 | 65.5 (6) | C37—O16—Rh4—C45 | −150.6 (4) |
F9—C16—S3—O15 | −54.5 (6) | C37—O16—Rh4—C42 | −91.6 (4) |
F7—C16—S3—O15 | −174.9 (5) | C37—O16—Rh4—O17 | −5.3 (3) |
Rh4—O20—S4—O21 | −107.9 (3) | C37—O16—Rh4—C44 | 177.6 (3) |
Rh4—O20—S4—O22 | 30.5 (4) | C37—O16—Rh4—C43 | −170.2 (6) |
Rh4—O20—S4—C39 | 141.8 (3) | C37—O16—Rh4—O20 | 77.6 (3) |
F10—C39—S4—O21 | −175.2 (4) | C38—O17—Rh4—C41 | 107.1 (4) |
F12—C39—S4—O21 | 65.4 (5) | C38—O17—Rh4—C45 | 89.7 (5) |
F11—C39—S4—O21 | −54.5 (5) | C38—O17—Rh4—C42 | 146.1 (4) |
F10—C39—S4—O22 | 61.8 (5) | C38—O17—Rh4—O16 | 5.1 (3) |
F12—C39—S4—O22 | −57.6 (5) | C38—O17—Rh4—C44 | 178.4 (5) |
F11—C39—S4—O22 | −177.5 (5) | C38—O17—Rh4—C43 | 179.6 (3) |
F10—C39—S4—O20 | −57.4 (5) | C38—O17—Rh4—O20 | −83.0 (3) |
F12—C39—S4—O20 | −176.8 (4) | C45—C44—Rh4—C41 | −37.6 (4) |
F11—C39—S4—O20 | 63.3 (5) | C43—C44—Rh4—C41 | 80.8 (4) |
Rh5—O23—S5—O24 | 88.3 (4) | C49—C44—Rh4—C41 | −159.0 (7) |
Rh5—O23—S5—O25 | −49.8 (4) | C43—C44—Rh4—C45 | 118.4 (5) |
Rh5—O23—S5—C40 | −160.5 (3) | C49—C44—Rh4—C45 | −121.4 (8) |
F14—C40—S5—O24 | 54.7 (6) | C45—C44—Rh4—C42 | −81.0 (4) |
F15—C40—S5—O24 | 176.7 (5) | C43—C44—Rh4—C42 | 37.4 (3) |
F13—C40—S5—O24 | −65.8 (5) | C49—C44—Rh4—C42 | 157.6 (7) |
F14—C40—S5—O25 | 178.6 (5) | C45—C44—Rh4—O16 | 55.5 (4) |
F15—C40—S5—O25 | −59.4 (5) | C43—C44—Rh4—O16 | 173.9 (3) |
F13—C40—S5—O25 | 58.1 (5) | C49—C44—Rh4—O16 | −65.9 (7) |
F14—C40—S5—O23 | −62.9 (5) | C45—C44—Rh4—O17 | −116.7 (6) |
F15—C40—S5—O23 | 59.1 (5) | C43—C44—Rh4—O17 | 1.7 (7) |
F13—C40—S5—O23 | 176.6 (4) | C49—C44—Rh4—O17 | 121.9 (6) |
C6—C5—Rh1—O2 | −166.2 (3) | C45—C44—Rh4—C43 | −118.4 (5) |
C4—C5—Rh1—O2 | 76.2 (3) | C49—C44—Rh4—C43 | 120.2 (8) |
C10—C5—Rh1—O2 | −43.5 (6) | C45—C44—Rh4—O20 | 148.1 (3) |
C6—C5—Rh1—O1 | −82.9 (3) | C43—C44—Rh4—O20 | −93.5 (3) |
C4—C5—Rh1—O1 | 159.5 (3) | C49—C44—Rh4—O20 | 26.6 (6) |
C10—C5—Rh1—O1 | 39.7 (6) | C42—C43—Rh4—C41 | 37.0 (3) |
C4—C5—Rh1—C6 | −117.6 (5) | C44—C43—Rh4—C41 | −81.3 (4) |
C10—C5—Rh1—C6 | 122.6 (7) | C48—C43—Rh4—C41 | 159.0 (6) |
C6—C5—Rh1—C4 | 117.6 (5) | C42—C43—Rh4—C45 | 80.7 (4) |
C10—C5—Rh1—C4 | −119.7 (7) | C44—C43—Rh4—C45 | −37.7 (4) |
C6—C5—Rh1—C3 | 80.9 (4) | C48—C43—Rh4—C45 | −157.4 (6) |
C4—C5—Rh1—C3 | −36.8 (3) | C44—C43—Rh4—C42 | −118.3 (5) |
C10—C5—Rh1—C3 | −156.5 (6) | C48—C43—Rh4—C42 | 121.9 (7) |
C6—C5—Rh1—C7 | 37.0 (3) | C42—C43—Rh4—O16 | 102.0 (6) |
C4—C5—Rh1—C7 | −80.6 (3) | C44—C43—Rh4—O16 | −16.3 (8) |
C10—C5—Rh1—C7 | 159.7 (6) | C48—C43—Rh4—O16 | −136.1 (6) |
C6—C5—Rh1—O3 | 66.3 (8) | C42—C43—Rh4—O17 | −60.9 (4) |
C4—C5—Rh1—O3 | −51.3 (8) | C44—C43—Rh4—O17 | −179.3 (3) |
C10—C5—Rh1—O3 | −171.0 (5) | C48—C43—Rh4—O17 | 61.0 (6) |
C1—O2—Rh1—C5 | 112.4 (4) | C42—C43—Rh4—C44 | 118.3 (5) |
C1—O2—Rh1—O1 | 7.8 (3) | C48—C43—Rh4—C44 | −119.7 (7) |
C1—O2—Rh1—C6 | 96.5 (4) | C42—C43—Rh4—O20 | −147.9 (3) |
C1—O2—Rh1—C4 | 151.1 (4) | C44—C43—Rh4—O20 | 93.8 (3) |
C1—O2—Rh1—C3 | −174.5 (3) | C48—C43—Rh4—O20 | −25.9 (5) |
C1—O2—Rh1—C7 | −173.4 (5) | S4—O20—Rh4—C41 | −98.9 (8) |
C1—O2—Rh1—O3 | −80.8 (3) | S4—O20—Rh4—C45 | −50.5 (4) |
C1i—O1—Rh1—C5 | −114.5 (4) | S4—O20—Rh4—C42 | −143.7 (3) |
C1i—O1—Rh1—O2 | −8.1 (3) | S4—O20—Rh4—O16 | 45.3 (3) |
C1i—O1—Rh1—C6 | −154.1 (4) | S4—O20—Rh4—O17 | 124.0 (3) |
C1i—O1—Rh1—C4 | −92.5 (4) | S4—O20—Rh4—C44 | −77.3 (3) |
C1i—O1—Rh1—C3 | 179.5 (6) | S4—O20—Rh4—C43 | −117.3 (3) |
C1i—O1—Rh1—C7 | 172.5 (4) | C54—C53—Rh5—C52 | 116.8 (4) |
C1i—O1—Rh1—O3 | 73.9 (4) | C58—C53—Rh5—C52 | −122.1 (6) |
C7—C6—Rh1—C5 | 119.6 (5) | C52—C53—Rh5—C51 | −36.8 (3) |
C11—C6—Rh1—C5 | −121.2 (7) | C54—C53—Rh5—C51 | 80.0 (3) |
C5—C6—Rh1—O2 | 24.2 (5) | C58—C53—Rh5—C51 | −158.9 (6) |
C7—C6—Rh1—O2 | 143.8 (3) | C52—C53—Rh5—O18 | 162.1 (3) |
C11—C6—Rh1—O2 | −97.0 (6) | C54—C53—Rh5—O18 | −81.1 (3) |
C5—C6—Rh1—O1 | 106.5 (3) | C58—C53—Rh5—O18 | 40.0 (5) |
C7—C6—Rh1—O1 | −133.9 (3) | C52—C53—Rh5—C54 | −116.8 (4) |
C11—C6—Rh1—O1 | −14.6 (6) | C58—C53—Rh5—C54 | 121.1 (6) |
C5—C6—Rh1—C4 | −38.3 (3) | C52—C53—Rh5—C55 | −79.9 (3) |
C7—C6—Rh1—C4 | 81.3 (3) | C54—C53—Rh5—C55 | 36.9 (3) |
C11—C6—Rh1—C4 | −159.5 (6) | C58—C53—Rh5—C55 | 158.0 (6) |
C5—C6—Rh1—C3 | −81.3 (3) | C52—C53—Rh5—O19 | 80.6 (3) |
C7—C6—Rh1—C3 | 38.3 (3) | C54—C53—Rh5—O19 | −162.6 (3) |
C11—C6—Rh1—C3 | 157.5 (6) | C58—C53—Rh5—O19 | −41.5 (5) |
C5—C6—Rh1—C7 | −119.6 (5) | C52—C53—Rh5—O23 | −63.1 (8) |
C11—C6—Rh1—C7 | 119.3 (7) | C54—C53—Rh5—O23 | 53.7 (8) |
C5—C6—Rh1—O3 | −159.5 (3) | C58—C53—Rh5—O23 | 174.8 (6) |
C7—C6—Rh1—O3 | −39.9 (4) | C51—C52—Rh5—C53 | −119.3 (4) |
C11—C6—Rh1—O3 | 79.4 (6) | C57—C52—Rh5—C53 | 119.9 (7) |
C3—C4—Rh1—C5 | −119.7 (4) | C53—C52—Rh5—C51 | 119.3 (4) |
C9—C4—Rh1—C5 | 118.3 (6) | C57—C52—Rh5—C51 | −120.8 (7) |
C3—C4—Rh1—O2 | 127.8 (3) | C51—C52—Rh5—O18 | −149.4 (3) |
C5—C4—Rh1—O2 | −112.5 (3) | C53—C52—Rh5—O18 | −30.1 (5) |
C9—C4—Rh1—O2 | 5.8 (5) | C57—C52—Rh5—O18 | 89.7 (6) |
C3—C4—Rh1—O1 | −153.7 (3) | C51—C52—Rh5—C54 | −80.7 (3) |
C5—C4—Rh1—O1 | −34.0 (4) | C53—C52—Rh5—C54 | 38.7 (3) |
C9—C4—Rh1—O1 | 84.3 (5) | C57—C52—Rh5—C54 | 158.5 (6) |
C3—C4—Rh1—C6 | −81.7 (3) | C51—C52—Rh5—C55 | −37.5 (3) |
C5—C4—Rh1—C6 | 38.0 (3) | C53—C52—Rh5—C55 | 81.8 (3) |
C9—C4—Rh1—C6 | 156.3 (5) | C57—C52—Rh5—C55 | −158.3 (6) |
C5—C4—Rh1—C3 | 119.7 (4) | C51—C52—Rh5—O19 | 134.8 (3) |
C9—C4—Rh1—C3 | −122.0 (6) | C53—C52—Rh5—O19 | −105.9 (3) |
C3—C4—Rh1—C7 | −38.4 (3) | C57—C52—Rh5—O19 | 14.0 (5) |
C5—C4—Rh1—C7 | 81.3 (3) | C51—C52—Rh5—O23 | 42.4 (4) |
C9—C4—Rh1—C7 | −160.4 (5) | C53—C52—Rh5—O23 | 161.7 (3) |
C3—C4—Rh1—O3 | 43.8 (4) | C57—C52—Rh5—O23 | −78.4 (6) |
C5—C4—Rh1—O3 | 163.5 (3) | C52—C51—Rh5—C53 | 37.6 (3) |
C9—C4—Rh1—O3 | −78.2 (5) | C55—C51—Rh5—C53 | −81.2 (3) |
C4—C3—Rh1—C5 | 37.2 (3) | C56—C51—Rh5—C53 | 158.9 (6) |
C8—C3—Rh1—C5 | 159.3 (6) | C55—C51—Rh5—C52 | −118.8 (5) |
C7—C3—Rh1—C5 | −80.8 (3) | C56—C51—Rh5—C52 | 121.3 (7) |
C4—C3—Rh1—O2 | −62.7 (3) | C52—C51—Rh5—O18 | 112.1 (6) |
C8—C3—Rh1—O2 | 59.4 (5) | C55—C51—Rh5—O18 | −6.6 (7) |
C7—C3—Rh1—O2 | 179.3 (3) | C56—C51—Rh5—O18 | −126.5 (6) |
C4—C3—Rh1—O1 | 108.9 (6) | C52—C51—Rh5—C54 | 81.3 (3) |
C8—C3—Rh1—O1 | −129.0 (6) | C55—C51—Rh5—C54 | −37.5 (3) |
C7—C3—Rh1—O1 | −9.0 (8) | C56—C51—Rh5—C54 | −157.4 (6) |
C4—C3—Rh1—C6 | 80.3 (3) | C52—C51—Rh5—C55 | 118.8 (5) |
C8—C3—Rh1—C6 | −157.6 (6) | C56—C51—Rh5—C55 | −119.9 (7) |
C7—C3—Rh1—C6 | −37.7 (3) | C52—C51—Rh5—O19 | −55.0 (4) |
C8—C3—Rh1—C4 | 122.1 (6) | C55—C51—Rh5—O19 | −173.8 (3) |
C7—C3—Rh1—C4 | −118.0 (5) | C56—C51—Rh5—O19 | 66.3 (6) |
C4—C3—Rh1—C7 | 118.0 (5) | C52—C51—Rh5—O23 | −149.2 (3) |
C8—C3—Rh1—C7 | −119.9 (6) | C55—C51—Rh5—O23 | 92.0 (3) |
C4—C3—Rh1—O3 | −146.9 (3) | C56—C51—Rh5—O23 | −27.9 (6) |
C8—C3—Rh1—O3 | −24.8 (5) | C37—O18—Rh5—C53 | −101.4 (4) |
C7—C3—Rh1—O3 | 95.1 (3) | C37—O18—Rh5—C52 | −81.7 (4) |
C6—C7—Rh1—C5 | −37.0 (3) | C37—O18—Rh5—C51 | −169.4 (5) |
C3—C7—Rh1—C5 | 81.1 (3) | C37—O18—Rh5—C54 | −141.1 (4) |
C12—C7—Rh1—C5 | −158.4 (7) | C37—O18—Rh5—C55 | −174.3 (3) |
C6—C7—Rh1—O2 | −119.7 (5) | C37—O18—Rh5—O19 | −0.7 (3) |
C3—C7—Rh1—O2 | −1.6 (7) | C37—O18—Rh5—O23 | 89.4 (3) |
C12—C7—Rh1—O2 | 118.9 (6) | C55—C54—Rh5—C53 | 119.4 (4) |
C6—C7—Rh1—O1 | 58.9 (4) | C59—C54—Rh5—C53 | −119.4 (6) |
C3—C7—Rh1—O1 | 177.0 (3) | C55—C54—Rh5—C52 | 80.6 (3) |
C12—C7—Rh1—O1 | −62.6 (7) | C53—C54—Rh5—C52 | −38.8 (3) |
C3—C7—Rh1—C6 | 118.1 (5) | C59—C54—Rh5—C52 | −158.2 (6) |
C12—C7—Rh1—C6 | −121.4 (7) | C55—C54—Rh5—C51 | 37.6 (3) |
C6—C7—Rh1—C4 | −80.5 (3) | C53—C54—Rh5—C51 | −81.8 (3) |
C3—C7—Rh1—C4 | 37.6 (3) | C59—C54—Rh5—C51 | 158.8 (6) |
C12—C7—Rh1—C4 | 158.1 (7) | C55—C54—Rh5—O18 | −132.8 (3) |
C6—C7—Rh1—C3 | −118.1 (5) | C53—C54—Rh5—O18 | 107.8 (3) |
C12—C7—Rh1—C3 | 120.5 (7) | C59—C54—Rh5—O18 | −11.6 (5) |
C6—C7—Rh1—O3 | 151.1 (3) | C53—C54—Rh5—C55 | −119.4 (4) |
C3—C7—Rh1—O3 | −90.8 (3) | C59—C54—Rh5—C55 | 121.2 (6) |
C12—C7—Rh1—O3 | 29.7 (6) | C55—C54—Rh5—O19 | 146.7 (3) |
S1—O3—Rh1—C5 | −109.6 (7) | C53—C54—Rh5—O19 | 27.3 (4) |
S1—O3—Rh1—O2 | 119.7 (3) | C59—C54—Rh5—O19 | −92.0 (5) |
S1—O3—Rh1—O1 | 41.1 (3) | C55—C54—Rh5—O23 | −44.6 (4) |
S1—O3—Rh1—C6 | −58.3 (4) | C53—C54—Rh5—O23 | −164.0 (3) |
S1—O3—Rh1—C4 | −149.3 (3) | C59—C54—Rh5—O23 | 76.7 (5) |
S1—O3—Rh1—C3 | −123.1 (3) | C51—C55—Rh5—C53 | 81.1 (3) |
S1—O3—Rh1—C7 | −82.6 (3) | C54—C55—Rh5—C53 | −37.4 (3) |
C18—C17—Rh2—C21 | 117.3 (5) | C60—C55—Rh5—C53 | −158.7 (6) |
C22—C17—Rh2—C21 | −121.3 (7) | C51—C55—Rh5—C52 | 37.3 (3) |
C21—C17—Rh2—C20 | −36.7 (3) | C54—C55—Rh5—C52 | −81.2 (3) |
C18—C17—Rh2—C20 | 80.6 (4) | C60—C55—Rh5—C52 | 157.5 (6) |
C22—C17—Rh2—C20 | −158.0 (6) | C54—C55—Rh5—C51 | −118.5 (5) |
C21—C17—Rh2—O6 | 63.3 (4) | C60—C55—Rh5—C51 | 120.2 (7) |
C18—C17—Rh2—O6 | −179.5 (3) | C51—C55—Rh5—O18 | 177.5 (3) |
C22—C17—Rh2—O6 | −58.0 (6) | C54—C55—Rh5—O18 | 59.0 (4) |
C21—C17—Rh2—C18 | −117.3 (5) | C60—C55—Rh5—O18 | −62.3 (6) |
C22—C17—Rh2—C18 | 121.4 (7) | C51—C55—Rh5—C54 | 118.5 (5) |
C21—C17—Rh2—C19 | −79.8 (4) | C60—C55—Rh5—C54 | −121.2 (7) |
C18—C17—Rh2—C19 | 37.5 (3) | C51—C55—Rh5—O19 | 15.2 (7) |
C22—C17—Rh2—C19 | 158.9 (7) | C54—C55—Rh5—O19 | −103.3 (5) |
C21—C17—Rh2—O7 | 145.9 (3) | C60—C55—Rh5—O19 | 135.4 (5) |
C18—C17—Rh2—O7 | −96.9 (3) | C51—C55—Rh5—O23 | −94.5 (3) |
C22—C17—Rh2—O7 | 24.6 (6) | C54—C55—Rh5—O23 | 147.0 (3) |
C21—C17—Rh2—O10 | −123.1 (5) | C60—C55—Rh5—O23 | 25.7 (6) |
C18—C17—Rh2—O10 | −5.8 (7) | C38—O19—Rh5—C53 | 106.1 (4) |
C22—C17—Rh2—O10 | 115.6 (6) | C38—O19—Rh5—C52 | 145.6 (4) |
C20—C21—Rh2—C17 | −120.1 (5) | C38—O19—Rh5—C51 | 176.8 (3) |
C26—C21—Rh2—C17 | 118.5 (7) | C38—O19—Rh5—O18 | 1.0 (3) |
C17—C21—Rh2—C20 | 120.1 (5) | C38—O19—Rh5—C54 | 88.5 (4) |
C26—C21—Rh2—C20 | −121.4 (7) | C38—O19—Rh5—C55 | 165.7 (5) |
C17—C21—Rh2—O6 | −126.7 (3) | C38—O19—Rh5—O23 | −82.9 (3) |
C20—C21—Rh2—O6 | 113.2 (3) | S5—O23—Rh5—C53 | 116.5 (7) |
C26—C21—Rh2—O6 | −8.2 (6) | S5—O23—Rh5—C52 | 66.5 (4) |
C17—C21—Rh2—C18 | 38.5 (3) | S5—O23—Rh5—C51 | 92.1 (3) |
C20—C21—Rh2—C18 | −81.6 (4) | S5—O23—Rh5—O18 | −106.5 (3) |
C26—C21—Rh2—C18 | 156.9 (6) | S5—O23—Rh5—C54 | 158.7 (3) |
C17—C21—Rh2—C19 | 81.6 (4) | S5—O23—Rh5—C55 | 132.0 (3) |
C20—C21—Rh2—C19 | −38.5 (3) | S5—O23—Rh5—O19 | −28.4 (3) |
Symmetry code: (i) −x+2, −y+1, −z. |
Experimental details
Crystal data | |
Chemical formula | [Rh(CF3O3S)2(C10H15)2(C2O4)] |
Mr | 862.42 |
Crystal system, space group | Orthorhombic, Pbca |
Temperature (K) | 173 |
a, b, c (Å) | 14.5462 (5), 25.5247 (9), 41.5719 (12) |
V (Å3) | 15435.1 (9) |
Z | 20 |
Radiation type | Mo Kα |
µ (mm−1) | 1.29 |
Crystal size (mm) | 0.14 × 0.12 × 0.07 |
Data collection | |
Diffractometer | Stoe IPDS |
Absorption correction | – |
No. of measured, independent and observed [I > 2σ(I)] reflections | 96861, 13761, 9348 |
Rint | 0.081 |
(sin θ/λ)max (Å−1) | 0.599 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.051, 0.139, 0.92 |
No. of reflections | 13761 |
No. of parameters | 1014 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 1.57, −1.34 |
Computer programs: EXPOSE in IPDS Software (Stoe & Cie, 2000), CELL in IPDS Software, INTEGRATE in IPDS Software, SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997), ORTEP-32 (Farrugia, 1997), SHELXL97.
O1—Rh1 | 2.134 (3) | O13—Rh3 | 2.229 (4) |
O2—Rh1 | 2.132 (3) | O14—S3 | 1.435 (4) |
O3—S1 | 1.460 (4) | O15—S3 | 1.442 (5) |
O3—Rh1 | 2.201 (4) | O16—Rh4 | 2.133 (3) |
O4—S1 | 1.413 (4) | O17—Rh4 | 2.133 (3) |
O5—S1 | 1.431 (4) | O18—Rh5 | 2.142 (3) |
O6—Rh2 | 2.125 (3) | O19—Rh5 | 2.148 (3) |
O7—Rh2 | 2.144 (3) | O20—S4 | 1.468 (4) |
O8—Rh3 | 2.118 (4) | O20—Rh4 | 2.205 (4) |
O9—Rh3 | 2.147 (3) | O21—S4 | 1.425 (4) |
O10—S2 | 1.463 (4) | O22—S4 | 1.425 (4) |
O10—Rh2 | 2.193 (4) | O23—S5 | 1.463 (4) |
O11—S2 | 1.425 (5) | O23—Rh5 | 2.191 (4) |
O12—S2 | 1.419 (4) | O24—S5 | 1.423 (5) |
O13—S3 | 1.430 (4) | O25—S5 | 1.435 (5) |
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Recently, we synthesized cationic trigonal metalloprisms of the type [(η5-Cp*)6M6(µ-tpt)2(µ-C2O4)3]6+ (M = Rh, Ir) containing bridging oxalato (C2O42-) ligands and 2,4,6-tri(pyridine-4-yl)-1,3,5-triazine (tpt) tritopic subunits (Govindaswamy et al., 2007). The synthesis involves the reaction of the chloro precursor [(µ-C2O4){(η5-Cp*)MCl}2] with AgO3SCF3 to give AgCl and an intermediate supposed to be the trifluoromethanesulfonate salt of the coordinativelly unsaturated cation [(µ-C2O4){(η5-Cp*)M}2]2+. We now isolated this compound and found a neutral di-trifluoromethanesulfonato complex. We present here the single X-ray structure analysis of the trifluoromethanesulfonate rhodium complex, [(µ-C2O4){(η5-Cp*)Rh(O3SCF3)}2] (1).
There are two and a half independent molecules in the asymmetric unit, among which, one possesses an inversion center (1 A) whereas the two other (1B) and (1 C) are located around general positions(Fig. 1). In all cases, the rhodium atoms are in a slightly distorted octahedral geometry and surrounded by a η5-C5Me5 ligand, an oxygen atom of a trifluoromethanesulfonato ligand and two oxygen atoms of an oxalato ligand. The dianionic C2O42- bridging ligand connects the two metals through its four oxygen atoms. The metal-metal distances are comparable in 1 A and 1B, 5.5157 (8) and 5.5183 (6) Å, respectively, but slightly longer in 1 C, 5.5389 (6) Å. These metal-metal separations are comparable to those found in other oxalato bridged dinuclear M(arene) or M(Cp*) complexes (range 5.48 - 5.63 Å) (Bottomley et al., 1981), (Yan et al., 1997), (Grotjahn et al., 2000), (Dale & Elsegood, 2006), (Govindaswamy et al., 2006), (Govindaswamy et al., 2007).
In all crystallographically independent dinuclear complexes 1 A, 1B and 1 C, the trifluoromethanesulfonato ligands are trans oriented with respect to each other. The geometrical parameters of the three independent molecules are similar. However, in 1B, the S—O bond of the coordinated oxygen atom O(13) is not longer [1.430 (4) Å] than the two S—O bonds of the non-coordinated oxygen atoms [1.435 (4) and 1.442 (5) Å] and the corresponding Rh(3)—O(13) distance [2.229 (4) Å] is significantly longer than the other metal-oxygen distances, ranging from 2.191 (4) to 2.205 (4) Å. Nevertheless, these metal-oxygen distances remain longer than the one observed in other Cp*Rh(O3SCF3) derivatives (Herberich & Ganter, 2001; Han & Lee, 2003).