Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803016222/cm6054sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536803016222/cm6054Isup2.hkl |
CCDC reference: 221656
Data collection: EXPOSE (Stoe IPDS Software, 2000); cell refinement: CELL (Stoe IPDS Software, 2000); data reduction: INTEGRATE (Stoe IPDS Software, 2000); program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON99 (Spek, 1990); software used to prepare material for publication: SHELXL97 (Sheldrick, 1997).
C26H37ORu3+·F6P− | F(000) = 1608 |
Mr = 813.74 | Dx = 1.892 Mg m−3 |
Orthorhombic, Imma | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -I 2b 2 | Cell parameters from 6951 reflections |
a = 19.522 (4) Å | θ = 1.8–25.9° |
b = 10.738 (2) Å | µ = 1.68 mm−1 |
c = 13.628 (3) Å | T = 153 K |
V = 2856.8 (10) Å3 | Block, red |
Z = 4 | 0.40 × 0.15 × 0.15 mm |
STOE IPDS diffractometer | 1162 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.085 |
Graphite monochromator | θmax = 25.9°, θmin = 1.8° |
Detector resolution: 0.81Å pixels mm-1 | h = −23→23 |
phi oscillation scans | k = −13→13 |
9851 measured reflections | l = −16→16 |
1505 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)] = 0.033 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.078 | H-atom parameters constrained |
S = 0.92 | w = 1/[σ2(Fo2) + (0.0477P)2] where P = (Fo2 + 2Fc2)/3 |
1505 reflections | (Δ/σ)max < 0.001 |
107 parameters | Δρmax = 0.82 e Å−3 |
0 restraints | Δρmin = −0.79 e Å−3 |
Experimental. A crystal was mounted at 153 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 = 1.2°, 3 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 | Occ. (<1) | |
C1 | 0.0699 (4) | 0.2500 | −0.6123 (5) | 0.076 (3) | |
H1 | 0.1175 | 0.2500 | −0.6115 | 0.091* | |
C2 | 0.0351 (4) | 0.1395 (5) | −0.6129 (4) | 0.070 (2) | |
H2 | 0.0589 | 0.0646 | −0.6133 | 0.084* | |
C3 | 0.1177 (2) | 0.1841 (4) | −0.1767 (3) | 0.0305 (9) | |
C4 | 0.1489 (2) | 0.1199 (4) | −0.2555 (3) | 0.0336 (10) | |
H4 | 0.1505 | 0.0333 | −0.2542 | 0.040* | |
C5 | 0.17776 (19) | 0.1838 (4) | −0.3359 (3) | 0.0313 (9) | |
C6 | 0.2066 (5) | 0.1089 (10) | −0.4226 (6) | 0.043 (2) | 0.50 |
H6A | 0.1783 | 0.0374 | −0.4342 | 0.064* | 0.50 |
H6B | 0.2524 | 0.0822 | −0.4076 | 0.064* | 0.50 |
H6C | 0.2073 | 0.1603 | −0.4802 | 0.064* | 0.50 |
C7 | 0.0873 (4) | 0.1144 (9) | −0.0904 (6) | 0.035 (2) | 0.50 |
H7 | 0.0499 | 0.1658 | −0.0649 | 0.042* | 0.50 |
C8 | 0.0568 (6) | −0.0109 (10) | −0.1163 (8) | 0.054 (3) | 0.50 |
H8A | 0.0919 | −0.0641 | −0.1422 | 0.082* | 0.50 |
H8B | 0.0215 | 0.0000 | −0.1647 | 0.082* | 0.50 |
H8C | 0.0376 | −0.0482 | −0.0585 | 0.082* | 0.50 |
C9 | 0.1406 (7) | 0.1043 (13) | −0.0089 (8) | 0.076 (4) | 0.50 |
H9A | 0.1584 | 0.1856 | 0.0057 | 0.113* | 0.50 |
H9B | 0.1772 | 0.0510 | −0.0298 | 0.113* | 0.50 |
H9C | 0.1196 | 0.0700 | 0.0488 | 0.113* | 0.50 |
O1 | 0.0000 | 0.1490 (6) | −0.3702 (5) | 0.0233 (16) | 0.50 |
P1 | 0.2500 | 0.2500 | 0.2500 | 0.0487 (7) | |
F1 | 0.2327 (2) | 0.1472 (4) | 0.3290 (3) | 0.0904 (12) | |
F2 | 0.1717 (2) | 0.2500 | 0.2157 (4) | 0.0902 (19) | |
Ru1 | 0.0000 | 0.2500 | −0.48864 (4) | 0.02096 (17) | |
Ru2 | 0.07150 (2) | 0.2500 | −0.31447 (3) | 0.02620 (16) | |
H1H | 0.0520 | 0.1625 | −0.4257 | 0.050* | 0.50 |
H2H | 0.0000 | 0.3047 | −0.2771 | 0.050* | 0.50 |
H3 | 0.0977 | 0.1402 | −0.1252 | 0.050* | 0.50 |
H5 | 0.1967 | 0.1392 | −0.3889 | 0.050* | 0.50 |
U11 | U22 | U33 | U12 | U13 | U23 | |
C1 | 0.032 (4) | 0.164 (12) | 0.032 (4) | 0.000 | 0.014 (3) | 0.000 |
C2 | 0.115 (6) | 0.051 (3) | 0.044 (3) | 0.044 (3) | 0.008 (3) | −0.013 (2) |
C3 | 0.032 (2) | 0.029 (2) | 0.031 (2) | −0.0003 (19) | −0.0098 (17) | 0.0025 (17) |
C4 | 0.038 (2) | 0.026 (2) | 0.037 (2) | 0.008 (2) | −0.0069 (19) | −0.0016 (18) |
C5 | 0.0176 (19) | 0.041 (2) | 0.036 (2) | 0.0053 (18) | −0.0050 (16) | −0.0031 (19) |
C6 | 0.030 (5) | 0.056 (6) | 0.042 (5) | 0.013 (5) | −0.003 (4) | −0.012 (4) |
C7 | 0.028 (5) | 0.039 (5) | 0.039 (5) | −0.002 (4) | −0.003 (4) | 0.004 (4) |
C8 | 0.057 (6) | 0.042 (6) | 0.065 (7) | −0.009 (5) | 0.016 (6) | 0.004 (5) |
C9 | 0.069 (8) | 0.107 (10) | 0.051 (7) | −0.023 (8) | −0.021 (6) | 0.049 (7) |
O1 | 0.018 (4) | 0.016 (3) | 0.035 (4) | 0.000 | 0.000 | 0.000 (3) |
P1 | 0.0295 (13) | 0.0731 (19) | 0.0436 (14) | 0.000 | 0.0119 (11) | 0.000 |
F1 | 0.088 (3) | 0.109 (3) | 0.073 (2) | −0.013 (3) | 0.013 (2) | 0.033 (2) |
F2 | 0.035 (2) | 0.173 (6) | 0.063 (3) | 0.000 | 0.005 (2) | 0.000 |
Ru1 | 0.0178 (3) | 0.0224 (3) | 0.0227 (3) | 0.000 | 0.000 | 0.000 |
Ru2 | 0.0188 (2) | 0.0364 (3) | 0.0234 (2) | 0.000 | −0.00116 (17) | 0.000 |
C1—C2 | 1.368 (7) | C8—H8C | 0.9600 |
C1—C2i | 1.368 (7) | C9—H9A | 0.9600 |
C1—Ru1 | 2.168 (7) | C9—H9B | 0.9600 |
C1—H1 | 0.9300 | C9—H9C | 0.9600 |
C2—C2ii | 1.369 (14) | O1—Ru2 | 1.924 (5) |
C2—Ru1 | 2.178 (5) | O1—Ru2iii | 1.924 (5) |
C2—H2 | 0.9300 | O1—Ru1 | 1.945 (7) |
C3—C4 | 1.414 (6) | O1—H1H | 1.2746 |
C3—C3i | 1.415 (8) | P1—F1i | 1.579 (4) |
C3—C7 | 1.515 (10) | P1—F1iv | 1.579 (4) |
C3—Ru2 | 2.200 (4) | P1—F1 | 1.579 (4) |
C3—H3 | 0.9309 | P1—F1v | 1.579 (4) |
C4—C5 | 1.410 (6) | P1—F2iv | 1.599 (5) |
C4—Ru2 | 2.210 (4) | P1—F2 | 1.599 (5) |
C4—H4 | 0.9300 | Ru1—O1iii | 1.945 (7) |
C5—C5i | 1.422 (9) | Ru1—C1iii | 2.168 (7) |
C5—C6 | 1.537 (9) | Ru1—C2ii | 2.178 (5) |
C5—Ru2 | 2.212 (4) | Ru1—C2iii | 2.178 (5) |
C5—H5 | 0.9426 | Ru1—C2i | 2.178 (5) |
C6—H6A | 0.9600 | Ru1—Ru2iii | 2.7536 (8) |
C6—H6B | 0.9600 | Ru1—Ru2 | 2.7536 (8) |
C6—H6C | 0.9600 | Ru1—H1H | 1.6276 |
C6—H5 | 0.5950 | Ru2—O1iii | 1.924 (5) |
C7—C8 | 1.514 (14) | Ru2—C3i | 2.200 (4) |
C7—C9 | 1.525 (13) | Ru2—C4i | 2.210 (4) |
C7—H7 | 0.9800 | Ru2—C5i | 2.212 (4) |
C7—H3 | 0.5854 | Ru2—Ru2iii | 2.7917 (11) |
C8—H8A | 0.9600 | Ru2—H1H | 1.8237 |
C8—H8B | 0.9600 | Ru2—H2H | 1.5979 |
C2—C1—C2i | 120.4 (8) | C1iii—Ru1—C2i | 66.0 (2) |
C2—C1—Ru1 | 72.1 (4) | C2ii—Ru1—C2i | 77.9 (3) |
C2i—C1—Ru1 | 72.1 (4) | C2—Ru1—C2i | 66.0 (3) |
C2—C1—H1 | 119.8 | C2iii—Ru1—C2i | 36.6 (4) |
C2i—C1—H1 | 119.8 | O1—Ru1—Ru2iii | 44.32 (14) |
Ru1—C1—H1 | 128.3 | O1iii—Ru1—Ru2iii | 44.32 (14) |
C1—C2—C2ii | 119.8 (4) | C1—Ru1—Ru2iii | 171.5 (2) |
C1—C2—Ru1 | 71.3 (4) | C1iii—Ru1—Ru2iii | 110.6 (2) |
C2ii—C2—Ru1 | 71.69 (19) | C2ii—Ru1—Ru2iii | 120.73 (16) |
C1—C2—H2 | 120.1 | C2—Ru1—Ru2iii | 146.04 (18) |
C2ii—C2—H2 | 120.1 | C2iii—Ru1—Ru2iii | 120.73 (16) |
Ru1—C2—H2 | 129.3 | C2i—Ru1—Ru2iii | 146.04 (18) |
C4—C3—C3i | 119.2 (2) | O1—Ru1—Ru2 | 44.32 (14) |
C4—C3—C7 | 121.1 (5) | O1iii—Ru1—Ru2 | 44.32 (14) |
C3i—C3—C7 | 119.6 (4) | C1—Ru1—Ru2 | 110.6 (2) |
C4—C3—Ru2 | 71.7 (2) | C1iii—Ru1—Ru2 | 171.5 (2) |
C3i—C3—Ru2 | 71.24 (11) | C2ii—Ru1—Ru2 | 146.04 (18) |
C7—C3—Ru2 | 131.4 (4) | C2—Ru1—Ru2 | 120.73 (16) |
C4—C3—H3 | 120.4 | C2iii—Ru1—Ru2 | 146.04 (18) |
C3i—C3—H3 | 120.4 | C2i—Ru1—Ru2 | 120.73 (16) |
C7—C3—H3 | 2.2 | Ru2iii—Ru1—Ru2 | 60.92 (3) |
Ru2—C3—H3 | 129.3 | O1—Ru1—H1H | 40.6 |
C5—C4—C3 | 121.6 (4) | O1iii—Ru1—H1H | 83.4 |
C5—C4—Ru2 | 71.5 (2) | C1—Ru1—H1H | 91.0 |
C3—C4—Ru2 | 70.9 (2) | C1iii—Ru1—H1H | 143.3 |
C5—C4—H4 | 119.2 | C2ii—Ru1—H1H | 106.9 |
C3—C4—H4 | 119.2 | C2—Ru1—H1H | 84.2 |
Ru2—C4—H4 | 131.3 | C2iii—Ru1—H1H | 157.0 |
C4—C5—C5i | 119.1 (2) | C2i—Ru1—H1H | 121.9 |
C4—C5—C6 | 119.3 (5) | Ru2iii—Ru1—H1H | 82.1 |
C5i—C5—C6 | 121.6 (4) | Ru2—Ru1—H1H | 39.6 |
C4—C5—Ru2 | 71.3 (2) | O1—Ru2—O1iii | 68.7 (4) |
C5i—C5—Ru2 | 71.25 (11) | O1—Ru2—C3 | 116.9 (2) |
C6—C5—Ru2 | 127.9 (4) | O1iii—Ru2—C3 | 144.7 (2) |
C4—C5—H5 | 120.3 | O1—Ru2—C3i | 144.7 (2) |
C5i—C5—H5 | 120.5 | O1iii—Ru2—C3i | 116.9 (2) |
C6—C5—H5 | 1.7 | C3—Ru2—C3i | 37.5 (2) |
Ru2—C5—H5 | 129.2 | O1—Ru2—C4 | 106.4 (2) |
C5—C6—H5 | 2.7 | O1iii—Ru2—C4 | 175.1 (2) |
H6A—C6—H5 | 112.1 | C3—Ru2—C4 | 37.40 (15) |
H6B—C6—H5 | 107.6 | C3i—Ru2—C4 | 67.20 (16) |
H6C—C6—H5 | 108.7 | O1—Ru2—C4i | 175.1 (2) |
C8—C7—C3 | 114.4 (7) | O1iii—Ru2—C4i | 106.4 (2) |
C8—C7—C9 | 112.0 (9) | C3—Ru2—C4i | 67.20 (16) |
C3—C7—C9 | 109.5 (7) | C3i—Ru2—C4i | 37.40 (15) |
C8—C7—H7 | 106.8 | C4—Ru2—C4i | 78.5 (2) |
C3—C7—H7 | 106.8 | O1—Ru2—C5 | 116.55 (18) |
C9—C7—H7 | 106.8 | O1iii—Ru2—C5 | 144.0 (2) |
C8—C7—H3 | 111.6 | C3—Ru2—C5 | 67.95 (15) |
C3—C7—H3 | 3.5 | C3i—Ru2—C5 | 80.29 (15) |
C9—C7—H3 | 112.9 | C4—Ru2—C5 | 37.20 (16) |
H7—C7—H3 | 106.2 | C4i—Ru2—C5 | 67.05 (16) |
Ru2—O1—Ru2iii | 93.0 (3) | O1—Ru2—C5i | 144.0 (2) |
Ru2—O1—Ru1 | 90.7 (2) | O1iii—Ru2—C5i | 116.55 (18) |
Ru2iii—O1—Ru1 | 90.7 (2) | C3—Ru2—C5i | 80.29 (15) |
Ru2—O1—H1H | 65.9 | C3i—Ru2—C5i | 67.95 (15) |
Ru2iii—O1—H1H | 138.4 | C4—Ru2—C5i | 67.05 (16) |
Ru1—O1—H1H | 56.2 | C4i—Ru2—C5i | 37.20 (16) |
F1i—P1—F1iv | 91.2 (3) | C5—Ru2—C5i | 37.5 (2) |
F1i—P1—F1 | 88.8 (3) | O1—Ru2—Ru1 | 44.9 (2) |
F1iv—P1—F1 | 180.0 (2) | O1iii—Ru2—Ru1 | 44.9 (2) |
F1i—P1—F1v | 180.00 (19) | C3—Ru2—Ru1 | 160.66 (11) |
F1iv—P1—F1v | 88.8 (3) | C3i—Ru2—Ru1 | 160.66 (11) |
F1—P1—F1v | 91.2 (3) | C4—Ru2—Ru1 | 131.32 (11) |
F1i—P1—F2iv | 90.3 (2) | C4i—Ru2—Ru1 | 131.32 (11) |
F1iv—P1—F2iv | 89.7 (2) | C5—Ru2—Ru1 | 111.20 (10) |
F1—P1—F2iv | 90.3 (2) | C5i—Ru2—Ru1 | 111.20 (10) |
F1v—P1—F2iv | 89.7 (2) | O1—Ru2—Ru2iii | 43.49 (15) |
F1i—P1—F2 | 89.7 (2) | O1iii—Ru2—Ru2iii | 43.49 (15) |
F1iv—P1—F2 | 90.3 (2) | C3—Ru2—Ru2iii | 114.22 (11) |
F1—P1—F2 | 89.7 (2) | C3i—Ru2—Ru2iii | 114.22 (11) |
F1v—P1—F2 | 90.3 (2) | C4—Ru2—Ru2iii | 133.15 (12) |
F2iv—P1—F2 | 180.00 (10) | C4i—Ru2—Ru2iii | 133.15 (12) |
O1—Ru1—O1iii | 67.8 (4) | C5—Ru2—Ru2iii | 159.67 (11) |
O1—Ru1—C1 | 130.18 (19) | C5i—Ru2—Ru2iii | 159.67 (11) |
O1iii—Ru1—C1 | 130.18 (19) | Ru1—Ru2—Ru2iii | 59.542 (14) |
O1—Ru1—C1iii | 130.18 (19) | O1—Ru2—H1H | 39.7 |
O1iii—Ru1—C1iii | 130.18 (19) | O1iii—Ru2—H1H | 79.1 |
C1—Ru1—C1iii | 78.0 (4) | C3—Ru2—H1H | 129.0 |
O1—Ru1—C2ii | 110.0 (2) | C3i—Ru2—H1H | 163.9 |
O1iii—Ru1—C2ii | 161.66 (19) | C4—Ru2—H1H | 96.9 |
C1—Ru1—C2ii | 66.0 (2) | C4i—Ru2—H1H | 140.4 |
C1iii—Ru1—C2ii | 36.7 (2) | C5—Ru2—H1H | 85.4 |
O1—Ru1—C2 | 110.0 (2) | C5i—Ru2—H1H | 104.6 |
O1iii—Ru1—C2 | 161.66 (19) | Ru1—Ru2—H1H | 34.7 |
C1—Ru1—C2 | 36.7 (2) | Ru2iii—Ru2—H1H | 78.0 |
C1iii—Ru1—C2 | 66.0 (2) | O1—Ru2—H2H | 72.5 |
C2ii—Ru1—C2 | 36.6 (4) | O1iii—Ru2—H2H | 44.3 |
O1—Ru1—C2iii | 161.66 (19) | C3—Ru2—H2H | 101.8 |
O1iii—Ru1—C2iii | 110.0 (2) | C3i—Ru2—H2H | 88.2 |
C1—Ru1—C2iii | 66.0 (2) | C4—Ru2—H2H | 135.5 |
C1iii—Ru1—C2iii | 36.7 (2) | C4i—Ru2—H2H | 104.4 |
C2ii—Ru1—C2iii | 66.0 (3) | C5—Ru2—H2H | 168.3 |
C2—Ru1—C2iii | 77.9 (3) | C5i—Ru2—H2H | 138.0 |
O1—Ru1—C2i | 161.66 (19) | Ru1—Ru2—H2H | 80.3 |
O1iii—Ru1—C2i | 110.0 (2) | Ru2iii—Ru2—H2H | 29.1 |
C1—Ru1—C2i | 36.7 (2) | H1H—Ru2—H2H | 105.8 |
C2i—C1—C2—C2ii | −0.8 (9) | C3—C4—Ru2—C3i | 29.9 (2) |
Ru1—C1—C2—C2ii | 54.8 (3) | C5—C4—Ru2—C4i | −67.1 (3) |
C2i—C1—C2—Ru1 | −55.6 (7) | C3—C4—Ru2—C4i | 67.4 (3) |
C3i—C3—C4—C5 | −2.4 (5) | C3—C4—Ru2—C5 | 134.5 (4) |
C7—C3—C4—C5 | −179.6 (5) | C5—C4—Ru2—C5i | −29.9 (2) |
Ru2—C3—C4—C5 | 52.6 (4) | C3—C4—Ru2—C5i | 104.6 (3) |
C3i—C3—C4—Ru2 | −55.02 (16) | C5—C4—Ru2—Ru1 | 68.8 (3) |
C7—C3—C4—Ru2 | 127.8 (5) | C3—C4—Ru2—Ru1 | −156.72 (19) |
C3—C4—C5—C5i | 2.4 (5) | C5—C4—Ru2—Ru2iii | 152.98 (19) |
Ru2—C4—C5—C5i | 54.77 (16) | C3—C4—Ru2—Ru2iii | −72.5 (3) |
C3—C4—C5—C6 | −175.9 (5) | C4—C5—Ru2—O1 | −82.2 (3) |
Ru2—C4—C5—C6 | −123.6 (5) | C5i—C5—Ru2—O1 | 146.6 (3) |
C3—C4—C5—Ru2 | −52.3 (4) | C6—C5—Ru2—O1 | 30.8 (7) |
C4—C3—C7—C8 | −32.9 (9) | C4—C5—Ru2—O1iii | −172.0 (4) |
C3i—C3—C7—C8 | 149.9 (6) | C5i—C5—Ru2—O1iii | 56.9 (4) |
Ru2—C3—C7—C8 | 59.5 (10) | C6—C5—Ru2—O1iii | −59.0 (7) |
C4—C3—C7—C9 | 93.7 (9) | C4—C5—Ru2—C3 | 27.9 (2) |
C3i—C3—C7—C9 | −83.4 (9) | C5i—C5—Ru2—C3 | −103.24 (13) |
Ru2—C3—C7—C9 | −173.8 (7) | C6—C5—Ru2—C3 | 140.9 (6) |
Ru2—O1—Ru1—O1iii | −46.52 (15) | C4—C5—Ru2—C3i | 64.8 (3) |
Ru2iii—O1—Ru1—O1iii | 46.52 (15) | C5i—C5—Ru2—C3i | −66.26 (12) |
Ru2—O1—Ru1—C1 | 78.1 (4) | C6—C5—Ru2—C3i | 177.9 (6) |
Ru2iii—O1—Ru1—C1 | 171.1 (2) | C5i—C5—Ru2—C4 | −131.1 (2) |
Ru2—O1—Ru1—C1iii | −171.1 (2) | C6—C5—Ru2—C4 | 113.0 (7) |
Ru2iii—O1—Ru1—C1iii | −78.1 (4) | C4—C5—Ru2—C4i | 101.5 (3) |
Ru2—O1—Ru1—C2ii | 153.0 (2) | C5i—C5—Ru2—C4i | −29.65 (14) |
Ru2iii—O1—Ru1—C2ii | −114.0 (3) | C6—C5—Ru2—C4i | −145.5 (6) |
Ru2—O1—Ru1—C2 | 114.0 (3) | C4—C5—Ru2—C5i | 131.1 (2) |
Ru2iii—O1—Ru1—C2 | −153.0 (2) | C6—C5—Ru2—C5i | −115.9 (6) |
Ru2—O1—Ru1—C2iii | −133.1 (7) | C4—C5—Ru2—Ru1 | −131.3 (2) |
Ru2iii—O1—Ru1—C2iii | −40.1 (9) | C5i—C5—Ru2—Ru1 | 97.56 (6) |
Ru2—O1—Ru1—C2i | 40.1 (9) | C6—C5—Ru2—Ru1 | −18.3 (6) |
Ru2iii—O1—Ru1—C2i | 133.1 (7) | C4—C5—Ru2—Ru2iii | −72.5 (4) |
Ru2—O1—Ru1—Ru2iii | −93.0 (3) | C5i—C5—Ru2—Ru2iii | 156.3 (3) |
Ru2iii—O1—Ru1—Ru2 | 93.0 (3) | C6—C5—Ru2—Ru2iii | 40.5 (7) |
C2—C1—Ru1—O1 | 67.3 (5) | O1iii—Ru1—Ru2—O1 | 105.9 (4) |
C2i—C1—Ru1—O1 | −161.1 (4) | C1—Ru1—Ru2—O1 | −127.0 (2) |
C2—C1—Ru1—O1iii | 161.1 (4) | C1iii—Ru1—Ru2—O1 | 53.0 (2) |
C2i—C1—Ru1—O1iii | −67.3 (5) | C2ii—Ru1—Ru2—O1 | −49.8 (4) |
C2—C1—Ru1—C1iii | −65.8 (4) | C2—Ru1—Ru2—O1 | −87.7 (3) |
C2i—C1—Ru1—C1iii | 65.8 (4) | C2iii—Ru1—Ru2—O1 | 155.7 (4) |
C2—C1—Ru1—C2ii | −29.2 (4) | C2i—Ru1—Ru2—O1 | −166.4 (3) |
C2i—C1—Ru1—C2ii | 102.4 (5) | Ru2iii—Ru1—Ru2—O1 | 53.0 (2) |
C2i—C1—Ru1—C2 | 131.6 (8) | O1—Ru1—Ru2—O1iii | −105.9 (4) |
C2—C1—Ru1—C2iii | −102.4 (5) | C1—Ru1—Ru2—O1iii | 127.0 (2) |
C2i—C1—Ru1—C2iii | 29.2 (4) | C1iii—Ru1—Ru2—O1iii | −53.0 (2) |
C2—C1—Ru1—C2i | −131.6 (8) | C2ii—Ru1—Ru2—O1iii | −155.7 (4) |
C2—C1—Ru1—Ru2iii | 114.2 (4) | C2—Ru1—Ru2—O1iii | 166.4 (3) |
C2i—C1—Ru1—Ru2iii | −114.2 (4) | C2iii—Ru1—Ru2—O1iii | 49.8 (4) |
C2—C1—Ru1—Ru2 | 114.2 (4) | C2i—Ru1—Ru2—O1iii | 87.7 (3) |
C2i—C1—Ru1—Ru2 | −114.2 (4) | Ru2iii—Ru1—Ru2—O1iii | −53.0 (2) |
C1—C2—Ru1—O1 | −131.4 (4) | O1—Ru1—Ru2—C3 | 23.2 (4) |
C2ii—C2—Ru1—O1 | 96.90 (12) | O1iii—Ru1—Ru2—C3 | 129.2 (4) |
C1—C2—Ru1—O1iii | −51.9 (10) | C1—Ru1—Ru2—C3 | −103.8 (3) |
C2ii—C2—Ru1—O1iii | 176.4 (8) | C1iii—Ru1—Ru2—C3 | 76.2 (3) |
C2ii—C2—Ru1—C1 | −131.7 (4) | C2ii—Ru1—Ru2—C3 | −26.6 (5) |
C1—C2—Ru1—C1iii | 102.5 (5) | C2—Ru1—Ru2—C3 | −64.5 (4) |
C2ii—C2—Ru1—C1iii | −29.2 (2) | C2iii—Ru1—Ru2—C3 | 178.9 (4) |
C1—C2—Ru1—C2ii | 131.7 (4) | C2i—Ru1—Ru2—C3 | −143.1 (4) |
C1—C2—Ru1—C2iii | 65.8 (4) | Ru2iii—Ru1—Ru2—C3 | 76.2 (3) |
C2ii—C2—Ru1—C2iii | −65.9 (3) | O1—Ru1—Ru2—C3i | −129.2 (4) |
C1—C2—Ru1—C2i | 29.3 (5) | O1iii—Ru1—Ru2—C3i | −23.2 (4) |
C2ii—C2—Ru1—C2i | −102.42 (12) | C1—Ru1—Ru2—C3i | 103.8 (3) |
C1—C2—Ru1—Ru2iii | −166.0 (4) | C1iii—Ru1—Ru2—C3i | −76.2 (3) |
C2ii—C2—Ru1—Ru2iii | 62.3 (2) | C2ii—Ru1—Ru2—C3i | −178.9 (4) |
C1—C2—Ru1—Ru2 | −83.4 (4) | C2—Ru1—Ru2—C3i | 143.1 (4) |
C2ii—C2—Ru1—Ru2 | 144.87 (16) | C2iii—Ru1—Ru2—C3i | 26.6 (5) |
Ru2iii—O1—Ru2—O1iii | −44.0 (3) | C2i—Ru1—Ru2—C3i | 64.5 (4) |
Ru1—O1—Ru2—O1iii | 46.8 (3) | Ru2iii—Ru1—Ru2—C3i | −76.2 (3) |
Ru2iii—O1—Ru2—C3 | 97.6 (2) | O1—Ru1—Ru2—C4 | 69.7 (3) |
Ru1—O1—Ru2—C3 | −171.58 (14) | O1iii—Ru1—Ru2—C4 | 175.6 (3) |
Ru2iii—O1—Ru2—C3i | 62.9 (4) | C1—Ru1—Ru2—C4 | −57.36 (16) |
Ru1—O1—Ru2—C3i | 153.7 (2) | C1iii—Ru1—Ru2—C4 | 122.64 (16) |
Ru2iii—O1—Ru2—C4 | 136.5 (2) | C2ii—Ru1—Ru2—C4 | 19.9 (3) |
Ru1—O1—Ru2—C4 | −132.75 (18) | C2—Ru1—Ru2—C4 | −18.0 (3) |
Ru2iii—O1—Ru2—C4i | −49 (3) | C2iii—Ru1—Ru2—C4 | −134.6 (3) |
Ru1—O1—Ru2—C4i | 42 (3) | C2i—Ru1—Ru2—C4 | −96.7 (3) |
Ru2iii—O1—Ru2—C5 | 175.12 (17) | Ru2iii—Ru1—Ru2—C4 | 122.64 (16) |
Ru1—O1—Ru2—C5 | −94.1 (2) | O1—Ru1—Ru2—C4i | −175.6 (3) |
Ru2iii—O1—Ru2—C5i | −150.1 (2) | O1iii—Ru1—Ru2—C4i | −69.7 (3) |
Ru1—O1—Ru2—C5i | −59.4 (4) | C1—Ru1—Ru2—C4i | 57.36 (16) |
Ru2iii—O1—Ru2—Ru1 | −90.8 (3) | C1iii—Ru1—Ru2—C4i | −122.64 (16) |
Ru1—O1—Ru2—Ru2iii | 90.8 (3) | C2ii—Ru1—Ru2—C4i | 134.6 (3) |
C4—C3—Ru2—O1 | 81.9 (3) | C2—Ru1—Ru2—C4i | 96.7 (3) |
C3i—C3—Ru2—O1 | −147.2 (2) | C2iii—Ru1—Ru2—C4i | −19.9 (3) |
C7—C3—Ru2—O1 | −33.8 (6) | C2i—Ru1—Ru2—C4i | 18.0 (3) |
C4—C3—Ru2—O1iii | 172.5 (3) | Ru2iii—Ru1—Ru2—C4i | −122.64 (16) |
C3i—C3—Ru2—O1iii | −56.6 (3) | O1—Ru1—Ru2—C5 | 106.9 (2) |
C7—C3—Ru2—O1iii | 56.8 (7) | O1iii—Ru1—Ru2—C5 | −147.2 (2) |
C4—C3—Ru2—C3i | −130.9 (2) | C1—Ru1—Ru2—C5 | −20.17 (12) |
C7—C3—Ru2—C3i | 113.4 (6) | C1iii—Ru1—Ru2—C5 | 159.83 (12) |
C3i—C3—Ru2—C4 | 130.9 (2) | C2ii—Ru1—Ru2—C5 | 57.1 (3) |
C7—C3—Ru2—C4 | −115.7 (6) | C2—Ru1—Ru2—C5 | 19.2 (2) |
C4—C3—Ru2—C4i | −101.1 (4) | C2iii—Ru1—Ru2—C5 | −97.4 (3) |
C3i—C3—Ru2—C4i | 29.85 (15) | C2i—Ru1—Ru2—C5 | −59.5 (2) |
C7—C3—Ru2—C4i | 143.2 (6) | Ru2iii—Ru1—Ru2—C5 | 159.83 (12) |
C4—C3—Ru2—C5 | −27.7 (3) | O1—Ru1—Ru2—C5i | 147.2 (2) |
C3i—C3—Ru2—C5 | 103.22 (13) | O1iii—Ru1—Ru2—C5i | −106.9 (2) |
C7—C3—Ru2—C5 | −143.4 (6) | C1—Ru1—Ru2—C5i | 20.17 (12) |
C4—C3—Ru2—C5i | −64.7 (3) | C1iii—Ru1—Ru2—C5i | −159.83 (12) |
C3i—C3—Ru2—C5i | 66.27 (12) | C2ii—Ru1—Ru2—C5i | 97.4 (3) |
C7—C3—Ru2—C5i | 179.6 (6) | C2—Ru1—Ru2—C5i | 59.5 (2) |
C4—C3—Ru2—Ru1 | 63.7 (4) | C2iii—Ru1—Ru2—C5i | −57.1 (3) |
C3i—C3—Ru2—Ru1 | −165.4 (4) | C2i—Ru1—Ru2—C5i | −19.2 (2) |
C7—C3—Ru2—Ru1 | −52.1 (7) | Ru2iii—Ru1—Ru2—C5i | −159.83 (12) |
C4—C3—Ru2—Ru2iii | 130.3 (2) | O1—Ru1—Ru2—Ru2iii | −53.0 (2) |
C3i—C3—Ru2—Ru2iii | −98.79 (7) | O1iii—Ru1—Ru2—Ru2iii | 53.0 (2) |
C7—C3—Ru2—Ru2iii | 14.6 (6) | C1—Ru1—Ru2—Ru2iii | 180.0 |
C5—C4—Ru2—O1 | 112.5 (3) | C1iii—Ru1—Ru2—Ru2iii | 0.0 |
C3—C4—Ru2—O1 | −113.0 (3) | C2ii—Ru1—Ru2—Ru2iii | −102.8 (3) |
C5—C4—Ru2—O1iii | 108 (3) | C2—Ru1—Ru2—Ru2iii | −140.7 (2) |
C3—C4—Ru2—O1iii | −118 (3) | C2iii—Ru1—Ru2—Ru2iii | 102.8 (3) |
C5—C4—Ru2—C3 | −134.5 (4) | C2i—Ru1—Ru2—Ru2iii | 140.7 (2) |
C5—C4—Ru2—C3i | −104.6 (3) |
Symmetry codes: (i) x, −y+1/2, z; (ii) −x, y, z; (iii) −x, −y+1/2, z; (iv) −x+1/2, −y+1/2, −z+1/2; (v) −x+1/2, y, −z+1/2. |