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
Key indicators
- Single-crystal X-ray study
- T = 153 K
- Mean (C-C) = 0.007 Å
- R factor = 0.033
- wR factor = 0.078
- Data-to-parameter ratio = 14.1
checkCIF results
No syntax errors found ADDSYM reports no extra symmetry
Alert Level C:
PLAT_710 Alert C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 48 C2 -C1 -RU1 -RU2 114.20 0.40 1.555 1.555 1.555 2.555 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 49 C2 -C1 -RU1 -RU2 -114.20 0.40 12.565 1.555 1.555 2.555 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 76 RU2 -O1 -RU2 -C4 -49.00 3.00 2.555 1.555 1.555 12.565 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 77 RU1 -O1 -RU2 -C4 42.00 3.00 1.555 1.555 1.555 12.565 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 111 C5 -C4 -RU2 -O1 108.00 3.00 1.555 1.555 1.555 2.555 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 112 C3 -C4 -RU2 -O1 -118.00 3.00 1.555 1.555 1.555 2.555 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 152 C1 -RU1 -RU2 -O1 53.00 0.20 2.555 1.555 1.555 1.555 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 160 C1 -RU1 -RU2 -O1 -53.00 0.20 2.555 1.555 1.555 2.555 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 169 C1 -RU1 -RU2 -C3 76.20 0.30 2.555 1.555 1.555 1.555 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 178 C1 -RU1 -RU2 -C3 -76.20 0.30 2.555 1.555 1.555 12.565 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 187 C1 -RU1 -RU2 -C4 122.64 0.16 2.555 1.555 1.555 1.555 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 196 C1 -RU1 -RU2 -C4 -122.64 0.16 2.555 1.555 1.555 12.565 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 205 C1 -RU1 -RU2 -C5 159.83 0.12 2.555 1.555 1.555 1.555 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 214 C1 -RU1 -RU2 -C5 -159.83 0.12 2.555 1.555 1.555 12.565 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 223 C1 -RU1 -RU2 -RU2 0.00 0.00 2.555 1.555 1.555 2.555 PLAT_733 Alert C Torsion Calc -102.4(4), Rep -102.42(12) ...... 3.33 su-Rat C2 -C2 -RU1 -C2 11.555 1.555 1.555 12.565 PLAT_733 Alert C Torsion Calc 62.4(5), Rep 62.3(2) ...... 2.50 su-Rat C2 -C2 -RU1 -RU2 11.555 1.555 1.555 2.555 PLAT_733 Alert C Torsion Calc 103.2(3), Rep 103.22(13) ...... 2.31 su-Rat C3 -C3 -RU2 -C5 12.565 1.555 1.555 1.555 PLAT_733 Alert C Torsion Calc -98.8(2), Rep -98.79(7) ...... 2.86 su-Rat C3 -C3 -RU2 -RU2 12.565 1.555 1.555 2.555 PLAT_733 Alert C Torsion Calc -103.2(3), Rep -103.24(13) ...... 2.31 su-Rat C5 -C5 -RU2 -C3 12.565 1.555 1.555 1.555 PLAT_733 Alert C Torsion Calc 97.6(2), Rep 97.56(6) ...... 3.33 su-Rat C5 -C5 -RU2 -RU1 12.565 1.555 1.555 1.555
0 Alert Level A = Potentially serious problem
0 Alert Level B = Potential problem
21 Alert Level C = Please check
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. |