Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805034768/dn6267sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536805034768/dn6267Isup2.hkl |
CCDC reference: 289719
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.
[Ru2(C5H10NO)2(C18H15P)2(CO)4] | F(000) = 2120 |
Mr = 1039.05 | Dx = 1.464 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ybc | Cell parameters from 7998 reflections |
a = 15.5453 (12) Å | θ = 2.4–25.9° |
b = 17.5491 (14) Å | µ = 0.76 mm−1 |
c = 18.1924 (12) Å | T = 173 K |
β = 108.262 (8)° | Rod, yellow |
V = 4713.0 (6) Å3 | 0.45 × 0.24 × 0.12 mm |
Z = 4 |
Stoe IPDS diffractometer | 8729 independent reflections |
Radiation source: fine-focus sealed tube | 5326 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.067 |
φ oscillation scans | θmax = 25.9°, θmin = 2.3° |
Absorption correction: part of the refinement model (ΔF) (DIFABS; Walker & Stuart, 1983) | h = −19→18 |
Tmin = 0.620, Tmax = 0.887 | k = −21→21 |
36846 measured reflections | l = −20→20 |
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)] = 0.034 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.068 | H-atom parameters constrained |
S = 0.83 | w = 1/[σ2(Fo2) + (0.0297P)2] where P = (Fo2 + 2Fc2)/3 |
8729 reflections | (Δ/σ)max = 0.009 |
565 parameters | Δρmax = 0.78 e Å−3 |
3 restraints | Δρmin = −0.70 e Å−3 |
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 - 186°, step Δφ = 1.0°, 5 minutes per frame. NMR spectra were recorded on a Brucker 400 MHz s pectrometer. IR spectrum was recorded on a Perkin-Elmer 1720X FT—IR spectrometer (4000–400 cm-1). |
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 | ||
Ru1 | 0.342826 (18) | 0.281530 (17) | 0.255227 (19) | 0.01899 (8) | |
Ru2 | 0.162722 (18) | 0.245482 (17) | 0.205452 (19) | 0.01771 (8) | |
C1 | 0.2855 (2) | 0.1676 (2) | 0.1263 (2) | 0.0238 (9) | |
C2 | 0.3068 (3) | 0.1201 (2) | 0.0642 (3) | 0.0402 (11) | |
C3 | 0.2315 (4) | 0.0731 (4) | 0.0196 (5) | 0.129 (4) | |
H3A | 0.2486 | 0.0460 | −0.0209 | 0.194* | |
H3B | 0.1788 | 0.1055 | −0.0043 | 0.194* | |
H3C | 0.2164 | 0.0360 | 0.0539 | 0.194* | |
C4 | 0.3285 (7) | 0.1804 (4) | 0.0075 (4) | 0.142 (4) | |
H4A | 0.3687 | 0.1574 | −0.0183 | 0.213* | |
H4B | 0.3583 | 0.2249 | 0.0373 | 0.213* | |
H4C | 0.2720 | 0.1963 | −0.0313 | 0.213* | |
C5 | 0.3903 (4) | 0.0754 (4) | 0.0964 (4) | 0.088 (2) | |
H5A | 0.3824 | 0.0397 | 0.1352 | 0.133* | |
H5B | 0.4408 | 0.1099 | 0.1206 | 0.133* | |
H5C | 0.4032 | 0.0469 | 0.0547 | 0.133* | |
C6 | 0.2179 (2) | 0.3645 (2) | 0.1118 (2) | 0.0212 (9) | |
C7 | 0.1930 (2) | 0.4108 (2) | 0.0369 (2) | 0.0267 (9) | |
C8 | 0.1361 (3) | 0.3587 (3) | −0.0278 (3) | 0.0488 (13) | |
H8A | 0.1176 | 0.3868 | −0.0768 | 0.073* | |
H8B | 0.0822 | 0.3418 | −0.0154 | 0.073* | |
H8C | 0.1723 | 0.3143 | −0.0325 | 0.073* | |
C9 | 0.1375 (3) | 0.4798 (3) | 0.0466 (3) | 0.0541 (14) | |
H9A | 0.1741 | 0.5116 | 0.0892 | 0.081* | |
H9B | 0.0832 | 0.4625 | 0.0580 | 0.081* | |
H9C | 0.1197 | 0.5097 | −0.0014 | 0.081* | |
C10 | 0.2758 (3) | 0.4378 (3) | 0.0160 (3) | 0.0414 (12) | |
H10A | 0.2560 | 0.4668 | −0.0324 | 0.062* | |
H10B | 0.3112 | 0.3936 | 0.0095 | 0.062* | |
H10C | 0.3133 | 0.4704 | 0.0575 | 0.062* | |
C11 | 0.3623 (2) | 0.2214 (2) | 0.3434 (3) | 0.0267 (9) | |
C12 | 0.1816 (2) | 0.1562 (2) | 0.2622 (2) | 0.0243 (9) | |
C13 | 0.3225 (2) | 0.3674 (2) | 0.3057 (2) | 0.0237 (9) | |
C14 | 0.1404 (2) | 0.2966 (2) | 0.2868 (2) | 0.0240 (9) | |
C15 | 0.5712 (2) | 0.3337 (2) | 0.3721 (2) | 0.0268 (10) | |
C16 | 0.5339 (3) | 0.3552 (3) | 0.4268 (3) | 0.0497 (14) | |
H16 | 0.4699 | 0.3546 | 0.4145 | 0.060* | |
C17 | 0.5866 (3) | 0.3784 (3) | 0.5007 (3) | 0.0535 (14) | |
H17 | 0.5584 | 0.3932 | 0.5378 | 0.064* | |
C18 | 0.6768 (3) | 0.3796 (3) | 0.5189 (3) | 0.0491 (13) | |
H18 | 0.7128 | 0.3939 | 0.5696 | 0.059* | |
C19 | 0.7179 (3) | 0.3598 (3) | 0.4637 (4) | 0.0686 (19) | |
H19 | 0.7819 | 0.3626 | 0.4759 | 0.082* | |
C20 | 0.6651 (3) | 0.3362 (3) | 0.3910 (3) | 0.0590 (16) | |
H20 | 0.6931 | 0.3214 | 0.3537 | 0.071* | |
C21 | 0.5663 (2) | 0.2145 (2) | 0.2673 (2) | 0.0290 (10) | |
C22 | 0.5474 (3) | 0.1469 (3) | 0.2985 (3) | 0.0561 (15) | |
H22 | 0.4995 | 0.1453 | 0.3206 | 0.067* | |
C23 | 0.5981 (3) | 0.0810 (3) | 0.2979 (4) | 0.0703 (19) | |
H23 | 0.5847 | 0.0348 | 0.3192 | 0.084* | |
C24 | 0.6659 (3) | 0.0839 (3) | 0.2667 (4) | 0.0634 (17) | |
H24 | 0.7003 | 0.0392 | 0.2665 | 0.076* | |
C25 | 0.6863 (3) | 0.1494 (3) | 0.2356 (3) | 0.0633 (16) | |
H25 | 0.7343 | 0.1505 | 0.2137 | 0.076* | |
C26 | 0.6359 (3) | 0.2141 (3) | 0.2363 (3) | 0.0514 (13) | |
H26 | 0.6501 | 0.2598 | 0.2146 | 0.062* | |
C27 | 0.5304 (2) | 0.3656 (2) | 0.2088 (3) | 0.0317 (11) | |
C28 | 0.5732 (3) | 0.4349 (3) | 0.2315 (3) | 0.0479 (13) | |
H28 | 0.5903 | 0.4498 | 0.2843 | 0.058* | |
C29 | 0.5911 (4) | 0.4828 (3) | 0.1764 (5) | 0.0690 (19) | |
H29 | 0.6202 | 0.5304 | 0.1923 | 0.083* | |
C30 | 0.5675 (3) | 0.4623 (4) | 0.1009 (4) | 0.072 (2) | |
H30 | 0.5809 | 0.4948 | 0.0642 | 0.086* | |
C31 | 0.5246 (3) | 0.3948 (4) | 0.0781 (3) | 0.0691 (19) | |
H311 | 0.5072 | 0.3807 | 0.0251 | 0.083* | |
C32 | 0.5059 (3) | 0.3462 (3) | 0.1315 (3) | 0.0506 (14) | |
H321 | 0.4759 | 0.2992 | 0.1146 | 0.061* | |
C33 | −0.0420 (2) | 0.14205 (19) | 0.1834 (2) | 0.0203 (9) | |
C34 | −0.0869 (2) | 0.0792 (2) | 0.1413 (2) | 0.0271 (10) | |
H34 | −0.0948 | 0.0753 | 0.0875 | 0.033* | |
C35 | −0.1200 (2) | 0.0224 (2) | 0.1785 (3) | 0.0304 (10) | |
H35 | −0.1497 | −0.0205 | 0.1498 | 0.037* | |
C36 | −0.1107 (2) | 0.0273 (2) | 0.2553 (3) | 0.0284 (10) | |
H36 | −0.1342 | −0.0118 | 0.2796 | 0.034* | |
C37 | −0.0669 (2) | 0.0893 (2) | 0.2980 (3) | 0.0283 (10) | |
H37 | −0.0607 | 0.0933 | 0.3515 | 0.034* | |
C38 | −0.0320 (2) | 0.1460 (2) | 0.2613 (2) | 0.0267 (10) | |
H38 | −0.0009 | 0.1881 | 0.2907 | 0.032* | |
C39 | −0.0306 (2) | 0.2027 (2) | 0.0381 (2) | 0.0281 (10) | |
C40 | 0.0004 (3) | 0.1367 (3) | 0.0102 (3) | 0.0380 (11) | |
H40 | 0.0382 | 0.1018 | 0.0458 | 0.046* | |
C41 | −0.0231 (3) | 0.1220 (3) | −0.0675 (3) | 0.0540 (14) | |
H411 | −0.0026 | 0.0765 | −0.0849 | 0.065* | |
C42 | −0.0766 (3) | 0.1730 (4) | −0.1214 (3) | 0.0587 (16) | |
H421 | −0.0923 | 0.1627 | −0.1752 | 0.070* | |
C43 | −0.1063 (3) | 0.2384 (3) | −0.0953 (3) | 0.0511 (14) | |
H431 | −0.1428 | 0.2735 | −0.1315 | 0.061* | |
C44 | −0.0836 (2) | 0.2537 (3) | −0.0166 (3) | 0.0380 (11) | |
H44 | −0.1043 | 0.2993 | 0.0003 | 0.046* | |
C45 | −0.0728 (2) | 0.2982 (2) | 0.1496 (2) | 0.0247 (9) | |
C46 | −0.1649 (2) | 0.2842 (2) | 0.1369 (3) | 0.0430 (12) | |
H46 | −0.1881 | 0.2342 | 0.1243 | 0.052* | |
C47 | −0.2221 (3) | 0.3420 (2) | 0.1424 (3) | 0.0488 (14) | |
H47 | −0.2846 | 0.3319 | 0.1333 | 0.059* | |
C48 | −0.1889 (3) | 0.4149 (2) | 0.1612 (3) | 0.0380 (12) | |
H48 | −0.2282 | 0.4546 | 0.1663 | 0.046* | |
C49 | −0.0996 (2) | 0.4296 (2) | 0.1724 (3) | 0.0326 (11) | |
H49 | −0.0770 | 0.4799 | 0.1847 | 0.039* | |
C50 | −0.0414 (2) | 0.3720 (2) | 0.1661 (2) | 0.0282 (10) | |
H50 | 0.0204 | 0.3833 | 0.1732 | 0.034* | |
N1 | 0.20271 (17) | 0.18752 (16) | 0.11968 (17) | 0.0187 (7) | |
H1 | 0.1603 | 0.1760 | 0.0762 | 0.022* | |
N2 | 0.30142 (18) | 0.34690 (16) | 0.15130 (18) | 0.0226 (8) | |
H2 | 0.3443 | 0.3636 | 0.1333 | 0.027* | |
O1 | 0.35332 (16) | 0.18914 (15) | 0.18397 (16) | 0.0305 (7) | |
O2 | 0.15030 (14) | 0.34299 (13) | 0.13359 (15) | 0.0223 (6) | |
O11 | 0.37494 (18) | 0.18565 (16) | 0.39890 (18) | 0.0411 (8) | |
O12 | 0.19443 (18) | 0.09982 (16) | 0.29588 (18) | 0.0414 (8) | |
O13 | 0.30629 (18) | 0.42272 (16) | 0.33381 (18) | 0.0380 (7) | |
O14 | 0.12617 (18) | 0.32523 (17) | 0.33891 (19) | 0.0410 (8) | |
P1 | 0.50243 (6) | 0.30043 (5) | 0.27628 (6) | 0.0234 (2) | |
P2 | 0.00368 (6) | 0.22178 (5) | 0.14175 (6) | 0.0202 (2) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ru1 | 0.01709 (14) | 0.02219 (17) | 0.01746 (19) | −0.00055 (12) | 0.00508 (12) | 0.00147 (14) |
Ru2 | 0.01633 (13) | 0.01830 (17) | 0.01863 (18) | −0.00096 (12) | 0.00564 (11) | 0.00034 (13) |
C1 | 0.030 (2) | 0.018 (2) | 0.021 (3) | 0.0037 (16) | 0.0052 (18) | 0.0008 (16) |
C2 | 0.043 (2) | 0.045 (3) | 0.029 (3) | 0.014 (2) | 0.007 (2) | −0.014 (2) |
C3 | 0.055 (4) | 0.166 (7) | 0.160 (8) | −0.007 (4) | 0.023 (4) | −0.140 (6) |
C4 | 0.294 (12) | 0.105 (6) | 0.074 (7) | 0.009 (6) | 0.127 (7) | −0.004 (4) |
C5 | 0.070 (4) | 0.099 (5) | 0.079 (5) | 0.044 (3) | −0.001 (3) | −0.053 (4) |
C6 | 0.026 (2) | 0.021 (2) | 0.017 (3) | 0.0012 (15) | 0.0084 (17) | −0.0029 (16) |
C7 | 0.025 (2) | 0.031 (2) | 0.024 (3) | 0.0015 (16) | 0.0074 (17) | 0.0069 (18) |
C8 | 0.050 (3) | 0.062 (3) | 0.027 (3) | −0.014 (2) | 0.001 (2) | 0.009 (2) |
C9 | 0.069 (3) | 0.048 (3) | 0.058 (4) | 0.028 (2) | 0.037 (3) | 0.025 (3) |
C10 | 0.044 (3) | 0.052 (3) | 0.032 (3) | −0.004 (2) | 0.017 (2) | 0.020 (2) |
C11 | 0.0254 (19) | 0.028 (2) | 0.027 (3) | 0.0005 (17) | 0.0080 (17) | 0.001 (2) |
C12 | 0.0202 (19) | 0.027 (2) | 0.027 (3) | −0.0025 (15) | 0.0089 (17) | 0.0023 (19) |
C13 | 0.025 (2) | 0.031 (2) | 0.015 (3) | −0.0024 (16) | 0.0073 (17) | 0.0062 (18) |
C14 | 0.0220 (19) | 0.029 (2) | 0.021 (3) | −0.0041 (16) | 0.0074 (17) | −0.0008 (18) |
C15 | 0.027 (2) | 0.026 (2) | 0.024 (3) | −0.0028 (16) | 0.0016 (18) | 0.0015 (17) |
C16 | 0.030 (2) | 0.081 (4) | 0.036 (4) | −0.013 (2) | 0.007 (2) | −0.010 (3) |
C17 | 0.040 (3) | 0.092 (4) | 0.029 (3) | −0.020 (2) | 0.012 (2) | −0.014 (3) |
C18 | 0.053 (3) | 0.047 (3) | 0.034 (3) | 0.004 (2) | −0.005 (2) | −0.003 (2) |
C19 | 0.031 (3) | 0.080 (4) | 0.077 (5) | 0.015 (2) | −0.009 (3) | −0.039 (3) |
C20 | 0.028 (2) | 0.071 (4) | 0.065 (4) | 0.013 (2) | −0.004 (2) | −0.033 (3) |
C21 | 0.0196 (18) | 0.032 (2) | 0.031 (3) | 0.0017 (17) | 0.0016 (17) | 0.000 (2) |
C22 | 0.032 (2) | 0.047 (3) | 0.092 (5) | 0.009 (2) | 0.023 (3) | 0.011 (3) |
C23 | 0.033 (3) | 0.038 (3) | 0.133 (6) | 0.007 (2) | 0.015 (3) | 0.014 (3) |
C24 | 0.037 (3) | 0.054 (4) | 0.087 (5) | 0.011 (2) | 0.002 (3) | −0.029 (3) |
C25 | 0.057 (3) | 0.072 (4) | 0.068 (5) | 0.019 (3) | 0.030 (3) | −0.012 (3) |
C26 | 0.057 (3) | 0.057 (3) | 0.051 (4) | 0.019 (2) | 0.031 (3) | 0.003 (3) |
C27 | 0.0141 (18) | 0.045 (3) | 0.037 (3) | 0.0040 (17) | 0.0093 (18) | 0.012 (2) |
C28 | 0.052 (3) | 0.040 (3) | 0.063 (4) | 0.007 (2) | 0.034 (3) | 0.014 (3) |
C29 | 0.062 (3) | 0.046 (3) | 0.117 (7) | 0.011 (3) | 0.054 (4) | 0.037 (4) |
C30 | 0.034 (3) | 0.109 (5) | 0.082 (6) | 0.026 (3) | 0.033 (3) | 0.066 (4) |
C31 | 0.029 (3) | 0.134 (6) | 0.042 (4) | 0.001 (3) | 0.008 (2) | 0.039 (4) |
C32 | 0.025 (2) | 0.085 (4) | 0.037 (4) | −0.009 (2) | 0.002 (2) | 0.019 (3) |
C33 | 0.0151 (18) | 0.020 (2) | 0.026 (3) | −0.0001 (14) | 0.0067 (16) | 0.0025 (17) |
C34 | 0.028 (2) | 0.030 (2) | 0.021 (3) | −0.0036 (17) | 0.0051 (17) | −0.0030 (18) |
C35 | 0.035 (2) | 0.019 (2) | 0.035 (3) | −0.0087 (16) | 0.0078 (19) | −0.0025 (18) |
C36 | 0.0224 (19) | 0.021 (2) | 0.041 (3) | 0.0012 (16) | 0.0092 (19) | 0.0070 (19) |
C37 | 0.028 (2) | 0.034 (2) | 0.024 (3) | 0.0002 (17) | 0.0107 (18) | 0.0038 (18) |
C38 | 0.026 (2) | 0.028 (2) | 0.028 (3) | −0.0043 (16) | 0.0105 (18) | −0.0057 (18) |
C39 | 0.0207 (19) | 0.036 (3) | 0.025 (3) | −0.0100 (16) | 0.0041 (17) | 0.0025 (19) |
C40 | 0.027 (2) | 0.053 (3) | 0.035 (3) | −0.0046 (19) | 0.0111 (19) | −0.009 (2) |
C41 | 0.044 (3) | 0.085 (4) | 0.039 (4) | −0.015 (3) | 0.021 (2) | −0.027 (3) |
C42 | 0.056 (3) | 0.094 (5) | 0.029 (4) | −0.038 (3) | 0.017 (3) | −0.011 (3) |
C43 | 0.047 (3) | 0.071 (4) | 0.028 (3) | −0.022 (2) | 0.002 (2) | 0.015 (3) |
C44 | 0.038 (2) | 0.043 (3) | 0.029 (3) | −0.014 (2) | 0.0049 (19) | 0.007 (2) |
C45 | 0.0217 (19) | 0.022 (2) | 0.029 (3) | −0.0011 (15) | 0.0073 (16) | 0.0044 (17) |
C46 | 0.027 (2) | 0.024 (2) | 0.078 (4) | −0.0058 (18) | 0.015 (2) | 0.009 (2) |
C47 | 0.016 (2) | 0.035 (3) | 0.095 (5) | 0.0054 (18) | 0.018 (2) | 0.015 (3) |
C48 | 0.031 (2) | 0.027 (2) | 0.059 (4) | 0.0093 (18) | 0.019 (2) | 0.010 (2) |
C49 | 0.030 (2) | 0.024 (2) | 0.042 (3) | 0.0025 (17) | 0.0094 (19) | 0.0041 (19) |
C50 | 0.0154 (18) | 0.025 (2) | 0.042 (3) | 0.0010 (15) | 0.0063 (17) | 0.0052 (19) |
N1 | 0.0162 (15) | 0.0241 (17) | 0.013 (2) | 0.0008 (12) | 0.0008 (12) | −0.0064 (13) |
N2 | 0.0166 (15) | 0.0301 (19) | 0.022 (2) | −0.0027 (12) | 0.0070 (13) | 0.0063 (14) |
O1 | 0.0258 (14) | 0.0390 (17) | 0.0242 (19) | 0.0034 (11) | 0.0042 (12) | −0.0051 (13) |
O2 | 0.0192 (13) | 0.0283 (15) | 0.0210 (18) | 0.0021 (10) | 0.0086 (11) | 0.0077 (12) |
O11 | 0.0515 (18) | 0.0419 (19) | 0.029 (2) | 0.0033 (14) | 0.0112 (15) | 0.0158 (15) |
O12 | 0.0464 (18) | 0.0300 (18) | 0.047 (2) | 0.0029 (13) | 0.0136 (15) | 0.0162 (15) |
O13 | 0.0506 (18) | 0.0292 (17) | 0.036 (2) | 0.0059 (13) | 0.0160 (15) | −0.0041 (14) |
O14 | 0.0452 (18) | 0.048 (2) | 0.035 (2) | −0.0036 (14) | 0.0200 (15) | −0.0134 (16) |
P1 | 0.0183 (5) | 0.0270 (6) | 0.0241 (7) | 0.0006 (4) | 0.0054 (4) | 0.0042 (4) |
P2 | 0.0176 (4) | 0.0195 (5) | 0.0221 (6) | −0.0023 (4) | 0.0040 (4) | −0.0007 (4) |
Ru1—C13 | 1.843 (4) | C22—C23 | 1.402 (6) |
Ru1—C11 | 1.864 (4) | C22—H22 | 0.9500 |
Ru1—O1 | 2.114 (3) | C23—C24 | 1.344 (8) |
Ru1—N2 | 2.131 (3) | C23—H23 | 0.9500 |
Ru1—P1 | 2.4118 (9) | C24—C25 | 1.362 (8) |
Ru1—Ru2 | 2.7331 (5) | C24—H24 | 0.9500 |
Ru2—C12 | 1.848 (4) | C25—C26 | 1.382 (6) |
Ru2—C14 | 1.854 (4) | C25—H25 | 0.9500 |
Ru2—N1 | 2.113 (3) | C26—H26 | 0.9500 |
Ru2—O2 | 2.125 (2) | C27—C32 | 1.379 (6) |
Ru2—P2 | 2.4152 (9) | C27—C28 | 1.384 (6) |
C1—O1 | 1.289 (4) | C27—P1 | 1.828 (4) |
C1—N1 | 1.301 (4) | C28—C29 | 1.402 (7) |
C1—C2 | 1.524 (6) | C28—H28 | 0.9500 |
C2—C3 | 1.453 (7) | C29—C30 | 1.355 (8) |
C2—C5 | 1.471 (6) | C29—H29 | 0.9500 |
C2—C4 | 1.586 (8) | C30—C31 | 1.358 (8) |
C3—H3A | 0.9800 | C30—H30 | 0.9500 |
C3—H3B | 0.9800 | C31—C32 | 1.390 (7) |
C3—H3C | 0.9800 | C31—H311 | 0.9500 |
C4—H4A | 0.9800 | C32—H321 | 0.9500 |
C4—H4B | 0.9800 | C33—C38 | 1.379 (5) |
C4—H4C | 0.9800 | C33—C34 | 1.398 (5) |
C5—H5A | 0.9800 | C33—P2 | 1.837 (4) |
C5—H5B | 0.9800 | C34—C35 | 1.391 (5) |
C5—H5C | 0.9800 | C34—H34 | 0.9500 |
C6—O2 | 1.291 (4) | C35—C36 | 1.361 (6) |
C6—N2 | 1.308 (4) | C35—H35 | 0.9500 |
C6—C7 | 1.528 (5) | C36—C37 | 1.385 (5) |
C7—C10 | 1.528 (5) | C36—H36 | 0.9500 |
C7—C9 | 1.529 (5) | C37—C38 | 1.398 (5) |
C7—C8 | 1.533 (6) | C37—H37 | 0.9500 |
C8—H8A | 0.9800 | C38—H38 | 0.9500 |
C8—H8B | 0.9800 | C39—C44 | 1.399 (5) |
C8—H8C | 0.9800 | C39—C40 | 1.408 (6) |
C9—H9A | 0.9800 | C39—P2 | 1.822 (4) |
C9—H9B | 0.9800 | C40—C41 | 1.369 (6) |
C9—H9C | 0.9800 | C40—H40 | 0.9500 |
C10—H10A | 0.9800 | C41—C42 | 1.393 (7) |
C10—H10B | 0.9800 | C41—H411 | 0.9500 |
C10—H10C | 0.9800 | C42—C43 | 1.376 (7) |
C11—O11 | 1.152 (5) | C42—H421 | 0.9500 |
C12—O12 | 1.148 (4) | C43—C44 | 1.389 (6) |
C13—O13 | 1.161 (4) | C43—H431 | 0.9500 |
C14—O14 | 1.154 (5) | C44—H44 | 0.9500 |
C15—C16 | 1.351 (6) | C45—C50 | 1.383 (5) |
C15—C20 | 1.391 (5) | C45—C46 | 1.398 (5) |
C15—P1 | 1.833 (4) | C45—P2 | 1.827 (4) |
C16—C17 | 1.398 (6) | C46—C47 | 1.374 (6) |
C16—H16 | 0.9500 | C46—H46 | 0.9500 |
C17—C18 | 1.335 (6) | C47—C48 | 1.382 (6) |
C17—H17 | 0.9500 | C47—H47 | 0.9500 |
C18—C19 | 1.393 (7) | C48—C49 | 1.363 (5) |
C18—H18 | 0.9500 | C48—H48 | 0.9500 |
C19—C20 | 1.384 (7) | C49—C50 | 1.384 (5) |
C19—H19 | 0.9500 | C49—H49 | 0.9500 |
C20—H20 | 0.9500 | C50—H50 | 0.9500 |
C21—C26 | 1.368 (6) | N1—H1 | 0.8800 |
C21—C22 | 1.385 (6) | N2—H2 | 0.8800 |
C21—P1 | 1.841 (4) | ||
C13—Ru1—C11 | 92.38 (17) | C22—C21—P1 | 118.3 (3) |
C13—Ru1—O1 | 172.33 (14) | C21—C22—C23 | 120.7 (5) |
C11—Ru1—O1 | 94.03 (15) | C21—C22—H22 | 119.7 |
C13—Ru1—N2 | 87.16 (14) | C23—C22—H22 | 119.7 |
C11—Ru1—N2 | 172.15 (13) | C24—C23—C22 | 119.3 (5) |
O1—Ru1—N2 | 85.91 (11) | C24—C23—H23 | 120.4 |
C13—Ru1—P1 | 97.86 (11) | C22—C23—H23 | 120.4 |
C11—Ru1—P1 | 93.44 (11) | C23—C24—C25 | 121.5 (5) |
O1—Ru1—P1 | 85.97 (7) | C23—C24—H24 | 119.2 |
N2—Ru1—P1 | 94.39 (8) | C25—C24—H24 | 119.2 |
C13—Ru1—Ru2 | 92.10 (11) | C24—C25—C26 | 118.9 (5) |
C11—Ru1—Ru2 | 91.55 (11) | C24—C25—H25 | 120.6 |
O1—Ru1—Ru2 | 83.52 (6) | C26—C25—H25 | 120.6 |
N2—Ru1—Ru2 | 80.64 (7) | C21—C26—C25 | 122.1 (5) |
P1—Ru1—Ru2 | 168.66 (3) | C21—C26—H26 | 119.0 |
C12—Ru2—C14 | 90.06 (17) | C25—C26—H26 | 119.0 |
C12—Ru2—N1 | 88.44 (15) | C32—C27—C28 | 118.3 (4) |
C14—Ru2—N1 | 173.97 (13) | C32—C27—P1 | 118.9 (3) |
C12—Ru2—O2 | 173.72 (14) | C28—C27—P1 | 122.8 (4) |
C14—Ru2—O2 | 95.59 (14) | C27—C28—C29 | 119.9 (6) |
N1—Ru2—O2 | 85.66 (11) | C27—C28—H28 | 120.0 |
C12—Ru2—P2 | 94.70 (11) | C29—C28—H28 | 120.0 |
C14—Ru2—P2 | 92.70 (11) | C30—C29—C28 | 120.8 (6) |
N1—Ru2—P2 | 93.24 (8) | C30—C29—H29 | 119.6 |
O2—Ru2—P2 | 87.79 (6) | C28—C29—H29 | 119.6 |
C12—Ru2—Ru1 | 92.52 (10) | C29—C30—C31 | 119.5 (5) |
C14—Ru2—Ru1 | 92.97 (10) | C29—C30—H30 | 120.2 |
N1—Ru2—Ru1 | 81.27 (7) | C31—C30—H30 | 120.2 |
O2—Ru2—Ru1 | 84.47 (6) | C30—C31—C32 | 120.8 (6) |
P2—Ru2—Ru1 | 170.82 (3) | C30—C31—H311 | 119.6 |
O1—C1—N1 | 122.0 (3) | C32—C31—H311 | 119.6 |
O1—C1—C2 | 116.8 (3) | C27—C32—C31 | 120.6 (5) |
N1—C1—C2 | 121.1 (3) | C27—C32—H321 | 119.7 |
C3—C2—C5 | 112.1 (5) | C31—C32—H321 | 119.7 |
C3—C2—C1 | 113.6 (4) | C38—C33—C34 | 118.6 (3) |
C5—C2—C1 | 111.5 (4) | C38—C33—P2 | 116.9 (3) |
C3—C2—C4 | 108.4 (6) | C34—C33—P2 | 124.5 (3) |
C5—C2—C4 | 105.9 (5) | C35—C34—C33 | 119.7 (4) |
C1—C2—C4 | 104.8 (4) | C35—C34—H34 | 120.1 |
C2—C3—H3A | 109.5 | C33—C34—H34 | 120.1 |
C2—C3—H3B | 109.5 | C36—C35—C34 | 121.2 (4) |
H3A—C3—H3B | 109.5 | C36—C35—H35 | 119.4 |
C2—C3—H3C | 109.5 | C34—C35—H35 | 119.4 |
H3A—C3—H3C | 109.5 | C35—C36—C37 | 120.0 (4) |
H3B—C3—H3C | 109.5 | C35—C36—H36 | 120.0 |
C2—C4—H4A | 109.5 | C37—C36—H36 | 120.0 |
C2—C4—H4B | 109.5 | C36—C37—C38 | 119.2 (4) |
H4A—C4—H4B | 109.5 | C36—C37—H37 | 120.4 |
C2—C4—H4C | 109.5 | C38—C37—H37 | 120.4 |
H4A—C4—H4C | 109.5 | C33—C38—C37 | 121.3 (4) |
H4B—C4—H4C | 109.5 | C33—C38—H38 | 119.4 |
C2—C5—H5A | 109.5 | C37—C38—H38 | 119.4 |
C2—C5—H5B | 109.5 | C44—C39—C40 | 117.4 (4) |
H5A—C5—H5B | 109.5 | C44—C39—P2 | 122.3 (3) |
C2—C5—H5C | 109.5 | C40—C39—P2 | 120.2 (3) |
H5A—C5—H5C | 109.5 | C41—C40—C39 | 121.2 (5) |
H5B—C5—H5C | 109.5 | C41—C40—H40 | 119.4 |
O2—C6—N2 | 121.7 (3) | C39—C40—H40 | 119.4 |
O2—C6—C7 | 115.2 (3) | C40—C41—C42 | 120.8 (5) |
N2—C6—C7 | 123.1 (3) | C40—C41—H411 | 119.6 |
C10—C7—C6 | 112.9 (3) | C42—C41—H411 | 119.6 |
C10—C7—C9 | 109.4 (3) | C43—C42—C41 | 118.9 (5) |
C6—C7—C9 | 108.3 (3) | C43—C42—H421 | 120.5 |
C10—C7—C8 | 108.7 (4) | C41—C42—H421 | 120.5 |
C6—C7—C8 | 107.0 (3) | C42—C43—C44 | 120.8 (5) |
C9—C7—C8 | 110.5 (4) | C42—C43—H431 | 119.6 |
C7—C8—H8A | 109.5 | C44—C43—H431 | 119.6 |
C7—C8—H8B | 109.5 | C43—C44—C39 | 120.9 (5) |
H8A—C8—H8B | 109.5 | C43—C44—H44 | 119.6 |
C7—C8—H8C | 109.5 | C39—C44—H44 | 119.6 |
H8A—C8—H8C | 109.5 | C50—C45—C46 | 118.2 (3) |
H8B—C8—H8C | 109.5 | C50—C45—P2 | 120.7 (3) |
C7—C9—H9A | 109.5 | C46—C45—P2 | 121.0 (3) |
C7—C9—H9B | 109.5 | C47—C46—C45 | 120.7 (4) |
H9A—C9—H9B | 109.5 | C47—C46—H46 | 119.6 |
C7—C9—H9C | 109.5 | C45—C46—H46 | 119.6 |
H9A—C9—H9C | 109.5 | C46—C47—C48 | 120.1 (4) |
H9B—C9—H9C | 109.5 | C46—C47—H47 | 119.9 |
C7—C10—H10A | 109.5 | C48—C47—H47 | 119.9 |
C7—C10—H10B | 109.5 | C49—C48—C47 | 119.7 (4) |
H10A—C10—H10B | 109.5 | C49—C48—H48 | 120.1 |
C7—C10—H10C | 109.5 | C47—C48—H48 | 120.1 |
H10A—C10—H10C | 109.5 | C48—C49—C50 | 120.7 (4) |
H10B—C10—H10C | 109.5 | C48—C49—H49 | 119.6 |
O11—C11—Ru1 | 178.4 (4) | C50—C49—H49 | 119.6 |
O12—C12—Ru2 | 177.9 (4) | C45—C50—C49 | 120.5 (3) |
O13—C13—Ru1 | 176.3 (4) | C45—C50—H50 | 119.8 |
O14—C14—Ru2 | 176.8 (4) | C49—C50—H50 | 119.8 |
C16—C15—C20 | 117.9 (4) | C1—N1—Ru2 | 124.9 (2) |
C16—C15—P1 | 122.2 (3) | C1—N1—H1 | 117.6 |
C20—C15—P1 | 119.9 (3) | Ru2—N1—H1 | 117.6 |
C15—C16—C17 | 122.1 (4) | C6—N2—Ru1 | 125.9 (2) |
C15—C16—H16 | 118.9 | C6—N2—H2 | 117.1 |
C17—C16—H16 | 118.9 | Ru1—N2—H2 | 117.1 |
C18—C17—C16 | 119.8 (5) | C1—O1—Ru1 | 121.5 (2) |
C18—C17—H17 | 120.1 | C6—O2—Ru2 | 119.9 (2) |
C16—C17—H17 | 120.1 | C27—P1—C15 | 104.43 (19) |
C17—C18—C19 | 120.0 (5) | C27—P1—C21 | 101.83 (19) |
C17—C18—H18 | 120.0 | C15—P1—C21 | 100.13 (17) |
C19—C18—H18 | 120.0 | C27—P1—Ru1 | 115.38 (12) |
C20—C19—C18 | 119.7 (5) | C15—P1—Ru1 | 117.34 (14) |
C20—C19—H19 | 120.2 | C21—P1—Ru1 | 115.46 (12) |
C18—C19—H19 | 120.2 | C39—P2—C45 | 103.25 (18) |
C19—C20—C15 | 120.5 (5) | C39—P2—C33 | 105.13 (18) |
C19—C20—H20 | 119.8 | C45—P2—C33 | 100.51 (16) |
C15—C20—H20 | 119.8 | C39—P2—Ru2 | 116.84 (12) |
C26—C21—C22 | 117.5 (4) | C45—P2—Ru2 | 115.42 (12) |
C26—C21—P1 | 124.0 (3) | C33—P2—Ru2 | 113.78 (12) |