| Literature DB >> 21582375 |
Hung-Chun Tong, Yu-Chen Hung, Po-Yo Wang, Chia-Her Lin, Yih-Hsing Lo.
Abstract
The reaction of [Ru(C(9)H(10)BN(6))Cl(C(18)H(15)P)(2)] with benzo-nitrile leads to crystals of the title compound, [Ru(C(9)H(10)BN(6))Cl(C(18)H(15)P)(C(7)H(5)N)]·C(2)H(5)OH. In the crystal structure, the environment about the ruthenium metal center corresponds to a slightly distorted octa-hedron with an average N-Ru-N bite angle of the Tp ligand of 86.6 (2)°.Entities:
Year: 2009 PMID: 21582375 PMCID: PMC2968787 DOI: 10.1107/S1600536809010265
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Ru(C9H10BN6)Cl(C18H15P)(C7H5N)]·C2H6O | |
| Triclinic, | |
| Mo | |
| Cell parameters from 0 reflections | |
| θ = 0–0° | |
| α = 83.438 (4)° | µ = 0.63 mm−1 |
| β = 88.726 (4)° | |
| γ = 88.920 (4)° | Prism, yellow |
| 0.24 × 0.08 × 0.02 mm |
| Nonius KappaCCD diffractometer | 5819 independent reflections |
| Radiation source: fine-focus sealed tube | 3804 reflections with |
| graphite | |
| Detector resolution: 9 pixels mm-1 | θmax = 25.0°, θmin = 1.9° |
| CCD rotation images, thick slices scans | |
| Absorption correction: multi-scan (Blessing, 1995) | |
| 13842 measured reflections |
| Refinement on | Primary atom site location: structure-invariant direct methods |
| Least-squares matrix: full | Secondary atom site location: difference Fourier map |
| Hydrogen site location: inferred from neighbouring sites | |
| H-atom parameters constrained | |
| 5819 reflections | (Δ/σ)max = 0.001 |
| 433 parameters | Δρmax = 0.86 e Å−3 |
| 0 restraints | Δρmin = −0.89 e Å−3 |
| 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 |
| B1 | 0.6437 (8) | 1.1216 (6) | 0.8145 (4) | 0.0217 (17) | |
| H1' | 0.6412 | 1.1988 | 0.8370 | 0.026* | |
| C1 | 0.4057 (7) | 0.8541 (6) | 0.8752 (3) | 0.0250 (15) | |
| H1 | 0.3660 | 0.7746 | 0.8709 | 0.030* | |
| C2 | 0.3573 (8) | 0.9230 (6) | 0.9274 (3) | 0.0307 (17) | |
| H2 | 0.2812 | 0.9014 | 0.9648 | 0.037* | |
| C3 | 0.4430 (8) | 1.0291 (6) | 0.9132 (3) | 0.0292 (17) | |
| H3 | 0.4369 | 1.0963 | 0.9399 | 0.035* | |
| C4 | 1.0191 (7) | 0.9563 (5) | 0.7700 (3) | 0.0235 (15) | |
| H4 | 1.0754 | 0.8911 | 0.7507 | 0.028* | |
| C5 | 1.0975 (8) | 1.0535 (5) | 0.7936 (3) | 0.0295 (17) | |
| H5 | 1.2141 | 1.0685 | 0.7933 | 0.035* | |
| C6 | 0.9697 (8) | 1.1240 (6) | 0.8178 (3) | 0.0298 (17) | |
| H6 | 0.9830 | 1.1977 | 0.8379 | 0.036* | |
| C7 | 0.4995 (7) | 1.0900 (5) | 0.6428 (3) | 0.0218 (15) | |
| H7 | 0.4781 | 1.0420 | 0.6064 | 0.026* | |
| C8 | 0.4638 (7) | 1.2139 (6) | 0.6407 (3) | 0.0305 (17) | |
| H8 | 0.4164 | 1.2661 | 0.6037 | 0.037* | |
| C9 | 0.5113 (7) | 1.2444 (5) | 0.7030 (3) | 0.0232 (15) | |
| H9 | 0.5017 | 1.3234 | 0.7179 | 0.028* | |
| C10 | 0.8767 (7) | 0.7020 (5) | 0.8753 (3) | 0.0194 (14) | |
| C11 | 0.8356 (7) | 0.7871 (5) | 0.9212 (3) | 0.0252 (15) | |
| H11 | 0.7450 | 0.8428 | 0.9110 | 0.030* | |
| C12 | 0.9232 (8) | 0.7922 (6) | 0.9807 (3) | 0.0300 (17) | |
| H12 | 0.8922 | 0.8506 | 1.0112 | 0.036* | |
| C13 | 1.0560 (8) | 0.7129 (6) | 0.9964 (3) | 0.0341 (18) | |
| H13 | 1.1156 | 0.7152 | 1.0380 | 0.041* | |
| C14 | 1.1002 (8) | 0.6312 (6) | 0.9513 (4) | 0.0348 (18) | |
| H14 | 1.1937 | 0.5781 | 0.9610 | 0.042* | |
| C15 | 1.0116 (7) | 0.6240 (6) | 0.8916 (3) | 0.0299 (17) | |
| H15 | 1.0436 | 0.5651 | 0.8615 | 0.036* | |
| C16 | 0.5928 (7) | 0.5768 (5) | 0.8399 (3) | 0.0199 (14) | |
| C17 | 0.6134 (8) | 0.5104 (5) | 0.9041 (3) | 0.0295 (16) | |
| H17 | 0.7035 | 0.5290 | 0.9319 | 0.035* | |
| C18 | 0.5063 (8) | 0.4179 (6) | 0.9288 (4) | 0.0333 (17) | |
| H18 | 0.5250 | 0.3731 | 0.9728 | 0.040* | |
| C19 | 0.3743 (8) | 0.3901 (5) | 0.8908 (4) | 0.0314 (17) | |
| H19 | 0.3001 | 0.3270 | 0.9081 | 0.038* | |
| C20 | 0.3503 (7) | 0.4553 (5) | 0.8265 (4) | 0.0282 (17) | |
| H20 | 0.2592 | 0.4361 | 0.7994 | 0.034* | |
| C21 | 0.4563 (7) | 0.5477 (5) | 0.8013 (3) | 0.0247 (15) | |
| H21 | 0.4367 | 0.5921 | 0.7573 | 0.030* | |
| C22 | 0.8730 (7) | 0.5888 (5) | 0.7502 (3) | 0.0190 (14) | |
| C23 | 0.8347 (8) | 0.4663 (6) | 0.7473 (3) | 0.0335 (17) | |
| H23 | 0.7423 | 0.4315 | 0.7736 | 0.040* | |
| C24 | 0.9301 (8) | 0.3950 (6) | 0.7066 (4) | 0.0367 (18) | |
| H24 | 0.9018 | 0.3121 | 0.7050 | 0.044* | |
| C25 | 1.0658 (8) | 0.4430 (6) | 0.6682 (4) | 0.0336 (18) | |
| H25 | 1.1293 | 0.3945 | 0.6394 | 0.040* | |
| C26 | 1.1067 (8) | 0.5612 (6) | 0.6726 (3) | 0.0285 (16) | |
| H26 | 1.2012 | 0.5948 | 0.6473 | 0.034* | |
| C27 | 1.0130 (7) | 0.6332 (5) | 0.7133 (3) | 0.0256 (16) | |
| H27 | 1.0454 | 0.7150 | 0.7159 | 0.031* | |
| C28 | 0.8440 (8) | 0.8522 (5) | 0.6049 (3) | 0.0220 (15) | |
| C29 | 0.9322 (7) | 0.8466 (5) | 0.5402 (3) | 0.0228 (15) | |
| C30 | 1.1031 (8) | 0.8200 (5) | 0.5399 (4) | 0.0330 (17) | |
| H30 | 1.1607 | 0.8058 | 0.5824 | 0.040* | |
| C31 | 1.1880 (8) | 0.8145 (6) | 0.4785 (4) | 0.0381 (18) | |
| H31 | 1.3041 | 0.7947 | 0.4783 | 0.046* | |
| C32 | 1.1051 (9) | 0.8377 (5) | 0.4170 (4) | 0.0345 (18) | |
| H32 | 1.1648 | 0.8348 | 0.3743 | 0.041* | |
| C33 | 0.9364 (9) | 0.8650 (6) | 0.4167 (4) | 0.0363 (18) | |
| H33 | 0.8802 | 0.8816 | 0.3740 | 0.044* | |
| C34 | 0.8494 (8) | 0.8681 (6) | 0.4786 (3) | 0.0314 (17) | |
| H34 | 0.7325 | 0.8850 | 0.4787 | 0.038* | |
| C35 | 0.6349 (12) | 0.5821 (7) | 0.5823 (4) | 0.066 (3) | |
| H35A | 0.5575 | 0.5189 | 0.6037 | 0.079* | |
| H35B | 0.7123 | 0.6024 | 0.6182 | 0.079* | |
| C36 | 0.7341 (11) | 0.5337 (7) | 0.5223 (5) | 0.077 (3) | |
| H36A | 0.7981 | 0.4604 | 0.5399 | 0.115* | |
| H36B | 0.8110 | 0.5965 | 0.5016 | 0.115* | |
| H36C | 0.6566 | 0.5133 | 0.4871 | 0.115* | |
| Cl1 | 0.40407 (18) | 0.80198 (13) | 0.69429 (8) | 0.0259 (4) | |
| N1 | 0.5147 (6) | 0.9129 (4) | 0.8316 (3) | 0.0187 (12) | |
| N2 | 0.5372 (6) | 1.0235 (4) | 0.8556 (3) | 0.0216 (12) | |
| N3 | 0.8537 (6) | 0.9662 (4) | 0.7779 (2) | 0.0201 (12) | |
| N4 | 0.8238 (6) | 1.0713 (4) | 0.8082 (3) | 0.0218 (12) | |
| N5 | 0.5673 (5) | 1.0477 (4) | 0.7025 (3) | 0.0185 (12) | |
| N6 | 0.5746 (6) | 1.1432 (4) | 0.7404 (3) | 0.0213 (12) | |
| N7 | 0.7767 (6) | 0.8556 (4) | 0.6573 (3) | 0.0190 (12) | |
| O2 | 0.5442 (7) | 0.6869 (5) | 0.5561 (3) | 0.0617 (16) | |
| H2' | 0.4895 | 0.7142 | 0.5886 | 0.092* | |
| P1 | 0.74469 (19) | 0.68826 (14) | 0.80077 (9) | 0.0189 (4) | |
| Ru1 | 0.65206 (6) | 0.87432 (4) | 0.74538 (3) | 0.01676 (16) |
| B1 | 0.027 (4) | 0.015 (4) | 0.025 (5) | 0.004 (3) | −0.004 (4) | −0.008 (3) |
| C1 | 0.022 (3) | 0.027 (4) | 0.026 (4) | −0.002 (3) | 0.000 (3) | −0.002 (3) |
| C2 | 0.034 (4) | 0.039 (4) | 0.019 (4) | 0.002 (3) | 0.007 (3) | 0.000 (3) |
| C3 | 0.031 (4) | 0.040 (4) | 0.018 (4) | 0.014 (3) | 0.003 (3) | −0.014 (3) |
| C4 | 0.014 (3) | 0.025 (4) | 0.031 (4) | 0.004 (3) | −0.001 (3) | 0.002 (3) |
| C5 | 0.021 (3) | 0.034 (4) | 0.034 (5) | −0.004 (3) | −0.010 (3) | −0.001 (3) |
| C6 | 0.031 (4) | 0.031 (4) | 0.029 (4) | −0.012 (3) | −0.010 (3) | −0.004 (3) |
| C7 | 0.024 (3) | 0.023 (4) | 0.019 (4) | 0.001 (3) | −0.007 (3) | −0.004 (3) |
| C8 | 0.031 (4) | 0.032 (4) | 0.026 (4) | 0.006 (3) | −0.006 (3) | 0.007 (3) |
| C9 | 0.022 (3) | 0.012 (3) | 0.034 (4) | 0.000 (3) | 0.001 (3) | 0.002 (3) |
| C10 | 0.019 (3) | 0.019 (3) | 0.019 (4) | −0.006 (3) | −0.001 (3) | 0.003 (3) |
| C11 | 0.024 (3) | 0.029 (4) | 0.022 (4) | −0.001 (3) | −0.003 (3) | 0.002 (3) |
| C12 | 0.032 (4) | 0.040 (4) | 0.020 (4) | −0.003 (3) | 0.000 (3) | −0.010 (3) |
| C13 | 0.032 (4) | 0.050 (5) | 0.019 (4) | −0.002 (3) | −0.009 (3) | 0.002 (4) |
| C14 | 0.026 (4) | 0.036 (4) | 0.041 (5) | 0.011 (3) | −0.012 (4) | 0.000 (4) |
| C15 | 0.029 (4) | 0.033 (4) | 0.027 (4) | 0.006 (3) | −0.007 (3) | −0.003 (3) |
| C16 | 0.023 (3) | 0.016 (3) | 0.019 (4) | 0.004 (3) | 0.006 (3) | 0.003 (3) |
| C17 | 0.033 (4) | 0.028 (4) | 0.027 (4) | −0.007 (3) | −0.004 (3) | 0.002 (3) |
| C18 | 0.040 (4) | 0.033 (4) | 0.025 (4) | −0.006 (3) | 0.003 (4) | 0.004 (3) |
| C19 | 0.032 (4) | 0.024 (4) | 0.036 (5) | −0.005 (3) | 0.011 (4) | 0.005 (3) |
| C20 | 0.021 (3) | 0.023 (4) | 0.040 (5) | −0.003 (3) | −0.001 (3) | −0.004 (3) |
| C21 | 0.028 (3) | 0.023 (4) | 0.023 (4) | 0.005 (3) | −0.005 (3) | −0.001 (3) |
| C22 | 0.022 (3) | 0.015 (3) | 0.021 (4) | 0.003 (3) | −0.003 (3) | −0.005 (3) |
| C23 | 0.034 (4) | 0.041 (4) | 0.026 (4) | 0.000 (3) | 0.005 (3) | −0.009 (4) |
| C24 | 0.040 (4) | 0.028 (4) | 0.043 (5) | −0.004 (3) | 0.005 (4) | −0.007 (4) |
| C25 | 0.044 (4) | 0.030 (4) | 0.028 (5) | 0.008 (3) | 0.002 (4) | −0.012 (3) |
| C26 | 0.026 (3) | 0.031 (4) | 0.028 (4) | −0.002 (3) | 0.012 (3) | −0.002 (3) |
| C27 | 0.023 (3) | 0.023 (4) | 0.032 (4) | −0.002 (3) | 0.000 (3) | −0.006 (3) |
| C28 | 0.025 (3) | 0.024 (4) | 0.018 (4) | −0.002 (3) | −0.005 (3) | −0.004 (3) |
| C29 | 0.026 (3) | 0.019 (3) | 0.023 (4) | −0.002 (3) | 0.003 (3) | 0.001 (3) |
| C30 | 0.037 (4) | 0.029 (4) | 0.032 (5) | 0.004 (3) | 0.003 (4) | 0.001 (3) |
| C31 | 0.029 (4) | 0.045 (5) | 0.039 (5) | 0.009 (3) | 0.007 (4) | −0.002 (4) |
| C32 | 0.046 (4) | 0.033 (4) | 0.026 (5) | −0.013 (3) | 0.011 (4) | −0.011 (3) |
| C33 | 0.046 (4) | 0.047 (5) | 0.018 (4) | −0.020 (4) | −0.004 (4) | −0.005 (4) |
| C34 | 0.024 (3) | 0.046 (4) | 0.023 (4) | −0.005 (3) | −0.002 (3) | 0.001 (4) |
| C35 | 0.105 (8) | 0.028 (5) | 0.065 (7) | −0.005 (5) | −0.042 (6) | 0.002 (5) |
| C36 | 0.087 (7) | 0.049 (6) | 0.100 (9) | 0.022 (5) | −0.035 (7) | −0.028 (6) |
| Cl1 | 0.0209 (8) | 0.0269 (9) | 0.0301 (11) | −0.0032 (7) | −0.0085 (8) | −0.0020 (8) |
| N1 | 0.016 (3) | 0.019 (3) | 0.020 (3) | 0.002 (2) | −0.006 (2) | 0.002 (2) |
| N2 | 0.024 (3) | 0.024 (3) | 0.018 (3) | 0.001 (2) | −0.001 (3) | −0.005 (2) |
| N3 | 0.022 (3) | 0.022 (3) | 0.016 (3) | −0.001 (2) | −0.001 (2) | 0.001 (2) |
| N4 | 0.023 (3) | 0.019 (3) | 0.024 (3) | 0.000 (2) | −0.003 (3) | −0.009 (2) |
| N5 | 0.016 (3) | 0.017 (3) | 0.023 (3) | 0.002 (2) | −0.004 (2) | −0.005 (2) |
| N6 | 0.027 (3) | 0.016 (3) | 0.020 (3) | 0.000 (2) | 0.000 (3) | −0.002 (2) |
| N7 | 0.019 (3) | 0.017 (3) | 0.020 (3) | −0.002 (2) | −0.006 (3) | 0.001 (3) |
| O2 | 0.066 (4) | 0.073 (4) | 0.046 (4) | 0.007 (3) | −0.011 (3) | −0.009 (3) |
| P1 | 0.0193 (8) | 0.0204 (9) | 0.0169 (10) | 0.0008 (7) | −0.0017 (8) | −0.0011 (8) |
| Ru1 | 0.0162 (2) | 0.0176 (3) | 0.0165 (3) | 0.00072 (19) | −0.0021 (2) | −0.0017 (2) |
| B1—N2 | 1.530 (9) | C20—C21 | 1.377 (8) |
| B1—N4 | 1.541 (8) | C20—H20 | 0.9500 |
| B1—N6 | 1.545 (8) | C21—H21 | 0.9500 |
| B1—H1' | 1.0000 | C22—C27 | 1.383 (8) |
| C1—N1 | 1.326 (8) | C22—C23 | 1.397 (8) |
| C1—C2 | 1.380 (8) | C22—P1 | 1.838 (6) |
| C1—H1 | 0.9500 | C23—C24 | 1.384 (8) |
| C2—C3 | 1.365 (9) | C23—H23 | 0.9500 |
| C2—H2 | 0.9500 | C24—C25 | 1.382 (9) |
| C3—N2 | 1.341 (7) | C24—H24 | 0.9500 |
| C3—H3 | 0.9500 | C25—C26 | 1.361 (8) |
| C4—N3 | 1.332 (7) | C25—H25 | 0.9500 |
| C4—C5 | 1.378 (8) | C26—C27 | 1.382 (8) |
| C4—H4 | 0.9500 | C26—H26 | 0.9500 |
| C5—C6 | 1.379 (8) | C27—H27 | 0.9500 |
| C5—H5 | 0.9500 | C28—N7 | 1.144 (7) |
| C6—N4 | 1.339 (7) | C28—C29 | 1.436 (9) |
| C6—H6 | 0.9500 | C29—C34 | 1.375 (8) |
| C7—N5 | 1.323 (7) | C29—C30 | 1.393 (8) |
| C7—C8 | 1.385 (8) | C30—C31 | 1.366 (9) |
| C7—H7 | 0.9500 | C30—H30 | 0.9500 |
| C8—C9 | 1.356 (8) | C31—C32 | 1.375 (8) |
| C8—H8 | 0.9500 | C31—H31 | 0.9500 |
| C9—N6 | 1.355 (7) | C32—C33 | 1.377 (9) |
| C9—H9 | 0.9500 | C32—H32 | 0.9500 |
| C10—C15 | 1.386 (7) | C33—C34 | 1.380 (9) |
| C10—C11 | 1.396 (8) | C33—H33 | 0.9500 |
| C10—P1 | 1.833 (6) | C34—H34 | 0.9500 |
| C11—C12 | 1.372 (8) | C35—O2 | 1.403 (8) |
| C11—H11 | 0.9500 | C35—C36 | 1.535 (11) |
| C12—C13 | 1.380 (8) | C35—H35A | 0.9900 |
| C12—H12 | 0.9500 | C35—H35B | 0.9900 |
| C13—C14 | 1.364 (8) | C36—H36A | 0.9800 |
| C13—H13 | 0.9500 | C36—H36B | 0.9800 |
| C14—C15 | 1.383 (8) | C36—H36C | 0.9800 |
| C14—H14 | 0.9500 | Cl1—Ru1 | 2.4259 (14) |
| C15—H15 | 0.9500 | N1—N2 | 1.371 (6) |
| C16—C17 | 1.383 (8) | N1—Ru1 | 2.063 (5) |
| C16—C21 | 1.400 (7) | N3—N4 | 1.373 (6) |
| C16—P1 | 1.834 (6) | N3—Ru1 | 2.069 (4) |
| C17—C18 | 1.381 (8) | N5—N6 | 1.354 (6) |
| C17—H17 | 0.9500 | N5—Ru1 | 2.102 (5) |
| C18—C19 | 1.362 (8) | N7—Ru1 | 1.991 (5) |
| C18—H18 | 0.9500 | O2—H2' | 0.8400 |
| C19—C20 | 1.383 (8) | P1—Ru1 | 2.3205 (16) |
| C19—H19 | 0.9500 | ||
| N2—B1—N4 | 108.7 (5) | C24—C25—H25 | 120.7 |
| N2—B1—N6 | 107.5 (5) | C25—C26—C27 | 121.1 (6) |
| N4—B1—N6 | 107.0 (5) | C25—C26—H26 | 119.5 |
| N2—B1—H1' | 111.1 | C27—C26—H26 | 119.5 |
| N4—B1—H1' | 111.1 | C26—C27—C22 | 121.5 (6) |
| N6—B1—H1' | 111.1 | C26—C27—H27 | 119.3 |
| N1—C1—C2 | 111.4 (6) | C22—C27—H27 | 119.3 |
| N1—C1—H1 | 124.3 | N7—C28—C29 | 178.6 (7) |
| C2—C1—H1 | 124.3 | C34—C29—C30 | 119.9 (6) |
| C3—C2—C1 | 104.6 (6) | C34—C29—C28 | 120.5 (5) |
| C3—C2—H2 | 127.7 | C30—C29—C28 | 119.6 (6) |
| C1—C2—H2 | 127.7 | C31—C30—C29 | 120.0 (7) |
| N2—C3—C2 | 109.1 (6) | C31—C30—H30 | 120.0 |
| N2—C3—H3 | 125.5 | C29—C30—H30 | 120.0 |
| C2—C3—H3 | 125.5 | C30—C31—C32 | 119.9 (6) |
| N3—C4—C5 | 110.9 (5) | C30—C31—H31 | 120.1 |
| N3—C4—H4 | 124.5 | C32—C31—H31 | 120.1 |
| C5—C4—H4 | 124.5 | C31—C32—C33 | 120.6 (7) |
| C6—C5—C4 | 104.9 (5) | C31—C32—H32 | 119.7 |
| C6—C5—H5 | 127.6 | C33—C32—H32 | 119.7 |
| C4—C5—H5 | 127.6 | C32—C33—C34 | 119.8 (6) |
| N4—C6—C5 | 108.8 (5) | C32—C33—H33 | 120.1 |
| N4—C6—H6 | 125.6 | C34—C33—H33 | 120.1 |
| C5—C6—H6 | 125.6 | C29—C34—C33 | 119.8 (6) |
| N5—C7—C8 | 110.7 (5) | C29—C34—H34 | 120.1 |
| N5—C7—H7 | 124.7 | C33—C34—H34 | 120.1 |
| C8—C7—H7 | 124.7 | O2—C35—C36 | 108.7 (7) |
| C9—C8—C7 | 105.0 (6) | O2—C35—H35A | 110.0 |
| C9—C8—H8 | 127.5 | C36—C35—H35A | 110.0 |
| C7—C8—H8 | 127.5 | O2—C35—H35B | 110.0 |
| N6—C9—C8 | 108.6 (5) | C36—C35—H35B | 110.0 |
| N6—C9—H9 | 125.7 | H35A—C35—H35B | 108.3 |
| C8—C9—H9 | 125.7 | C35—C36—H36A | 109.5 |
| C15—C10—C11 | 117.4 (5) | C35—C36—H36B | 109.5 |
| C15—C10—P1 | 122.4 (5) | H36A—C36—H36B | 109.5 |
| C11—C10—P1 | 120.1 (4) | C35—C36—H36C | 109.5 |
| C12—C11—C10 | 121.4 (5) | H36A—C36—H36C | 109.5 |
| C12—C11—H11 | 119.3 | H36B—C36—H36C | 109.5 |
| C10—C11—H11 | 119.3 | C1—N1—N2 | 105.8 (5) |
| C11—C12—C13 | 120.4 (6) | C1—N1—Ru1 | 136.1 (4) |
| C11—C12—H12 | 119.8 | N2—N1—Ru1 | 118.0 (4) |
| C13—C12—H12 | 119.8 | C3—N2—N1 | 109.1 (5) |
| C14—C13—C12 | 118.8 (6) | C3—N2—B1 | 129.9 (5) |
| C14—C13—H13 | 120.6 | N1—N2—B1 | 120.8 (5) |
| C12—C13—H13 | 120.6 | C4—N3—N4 | 106.3 (5) |
| C13—C14—C15 | 121.4 (6) | C4—N3—Ru1 | 134.6 (4) |
| C13—C14—H14 | 119.3 | N4—N3—Ru1 | 118.6 (3) |
| C15—C14—H14 | 119.3 | C6—N4—N3 | 109.2 (5) |
| C14—C15—C10 | 120.6 (6) | C6—N4—B1 | 129.9 (5) |
| C14—C15—H15 | 119.7 | N3—N4—B1 | 120.0 (4) |
| C10—C15—H15 | 119.7 | C7—N5—N6 | 106.7 (4) |
| C17—C16—C21 | 117.1 (6) | C7—N5—Ru1 | 133.9 (4) |
| C17—C16—P1 | 123.2 (5) | N6—N5—Ru1 | 119.3 (4) |
| C21—C16—P1 | 119.5 (5) | N5—N6—C9 | 109.0 (5) |
| C18—C17—C16 | 121.8 (6) | N5—N6—B1 | 119.1 (4) |
| C18—C17—H17 | 119.1 | C9—N6—B1 | 132.0 (5) |
| C16—C17—H17 | 119.1 | C28—N7—Ru1 | 175.5 (5) |
| C19—C18—C17 | 120.7 (7) | C35—O2—H2' | 109.5 |
| C19—C18—H18 | 119.7 | C10—P1—C16 | 100.4 (3) |
| C17—C18—H18 | 119.7 | C10—P1—C22 | 102.2 (3) |
| C18—C19—C20 | 118.8 (6) | C16—P1—C22 | 99.5 (3) |
| C18—C19—H19 | 120.6 | C10—P1—Ru1 | 113.87 (19) |
| C20—C19—H19 | 120.6 | C16—P1—Ru1 | 119.88 (18) |
| C21—C20—C19 | 121.0 (6) | C22—P1—Ru1 | 118.0 (2) |
| C21—C20—H20 | 119.5 | N7—Ru1—N1 | 173.57 (19) |
| C19—C20—H20 | 119.5 | N7—Ru1—N3 | 89.01 (19) |
| C20—C21—C16 | 120.7 (6) | N1—Ru1—N3 | 90.33 (18) |
| C20—C21—H21 | 119.7 | N7—Ru1—N5 | 89.35 (19) |
| C16—C21—H21 | 119.7 | N1—Ru1—N5 | 84.21 (19) |
| C27—C22—C23 | 117.2 (6) | N3—Ru1—N5 | 85.23 (17) |
| C27—C22—P1 | 120.7 (4) | N7—Ru1—P1 | 94.34 (14) |
| C23—C22—P1 | 122.1 (5) | N1—Ru1—P1 | 92.08 (13) |
| C24—C23—C22 | 120.7 (7) | N3—Ru1—P1 | 92.67 (13) |
| C24—C23—H23 | 119.7 | N5—Ru1—P1 | 175.72 (15) |
| C22—C23—H23 | 119.7 | N7—Ru1—Cl1 | 88.69 (13) |
| C23—C24—C25 | 120.9 (6) | N1—Ru1—Cl1 | 90.79 (13) |
| C23—C24—H24 | 119.6 | N3—Ru1—Cl1 | 169.39 (13) |
| C25—C24—H24 | 119.6 | N5—Ru1—Cl1 | 84.39 (13) |
| C26—C25—C24 | 118.6 (6) | P1—Ru1—Cl1 | 97.83 (5) |
| C26—C25—H25 | 120.7 |