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
[(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) |
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).