| Literature DB >> 21587719 |
Chiung-Cheng Huang, Han-Gung Chen, Yih Hsing Lo, Li-Sheng Hsu, Chia-Her Lin.
Abstract
In the title compound, [Ru(C(9)H(10)BN(6))Cl(C(3)H(4)N(2))(C(18)H(15)P)], the Ru(II) atom is coordinated by an N,N',N''-tridentate hydrido-trispyrazolylborate (Tp) ligand, a pyrazole (HPz) mol-ecule, a chloride ion and a triphenyl-phosphine ligand, resulting in a distorted RuClPN(4) octa-hedral coordination for the metal ion: the tridentate N atoms occupy one octa-hedral face and the Cl and P atoms are cis. One of the phenyl rings is disordered over two orientations in a 0.547 (10):0.453 (10) ratio, and a weak intra-molecular N-H⋯Cl hydrogen bond generates an S(5) ring.Entities:
Year: 2010 PMID: 21587719 PMCID: PMC3006890 DOI: 10.1107/S1600536810021525
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Ru(C9H10BN6)Cl(C3H4N2)(C18H15P)] | |
| Monoclinic, | |
| Hall symbol: -P 2ybc | Mo |
| µ = 0.69 mm−1 | |
| Prism, yellow | |
| β = 116.316 (3)° | 0.11 × 0.08 × 0.03 mm |
| Nonius KappaCCD diffractometer | 5292 independent reflections |
| Radiation source: fine-focus sealed tube | 3470 reflections with |
| graphite | |
| Detector resolution: 9 pixels mm-1 | θmax = 25.0°, θmin = 2.4° |
| CCD rotation images, thick slices scans | |
| Absorption correction: multi-scan ( | |
| 22639 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 | |
| 5292 reflections | (Δ/σ)max = 0.001 |
| 360 parameters | Δρmax = 0.89 e Å−3 |
| 0 restraints | Δρmin = −0.88 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 |
| Occ. (<1) | |||||
| C1 | 0.2902 (4) | 0.3286 (6) | 0.1960 (4) | 0.0463 (16) | |
| H1 | 0.2738 | 0.2987 | 0.1436 | 0.056* | |
| C2 | 0.2953 (4) | 0.4609 (6) | 0.2186 (4) | 0.0555 (18) | |
| H2 | 0.2837 | 0.5370 | 0.1858 | 0.067* | |
| C3 | 0.3205 (4) | 0.4581 (6) | 0.2979 (4) | 0.0474 (17) | |
| H3 | 0.3290 | 0.5333 | 0.3309 | 0.057* | |
| C4 | 0.5121 (3) | 0.0343 (6) | 0.4007 (4) | 0.0404 (15) | |
| H4 | 0.5261 | −0.0394 | 0.3776 | 0.048* | |
| C5 | 0.5677 (4) | 0.0987 (7) | 0.4686 (4) | 0.0539 (18) | |
| H5 | 0.6255 | 0.0793 | 0.4997 | 0.065* | |
| C6 | 0.5218 (4) | 0.1956 (6) | 0.4810 (4) | 0.0480 (17) | |
| H6 | 0.5419 | 0.2566 | 0.5238 | 0.058* | |
| C7 | 0.2128 (4) | 0.0109 (6) | 0.3727 (4) | 0.0402 (15) | |
| H7 | 0.1830 | −0.0666 | 0.3468 | 0.048* | |
| C8 | 0.2055 (4) | 0.0742 (7) | 0.4345 (4) | 0.0562 (19) | |
| H8 | 0.1701 | 0.0498 | 0.4580 | 0.067* | |
| C9 | 0.2593 (4) | 0.1778 (7) | 0.4543 (4) | 0.057 (2) | |
| H9 | 0.2689 | 0.2395 | 0.4954 | 0.069* | |
| C10 | 0.4314 (4) | 0.1132 (7) | 0.1913 (4) | 0.0540 (18) | |
| H10 | 0.4311 | 0.2064 | 0.1983 | 0.065* | |
| C11 | 0.4754 (5) | 0.0497 (8) | 0.1565 (4) | 0.073 (2) | |
| H11 | 0.5096 | 0.0890 | 0.1354 | 0.087* | |
| C12 | 0.4589 (5) | −0.0808 (8) | 0.1592 (4) | 0.069 (2) | |
| H12 | 0.4799 | −0.1519 | 0.1401 | 0.082* | |
| C13 | 0.1166 (4) | −0.1063 (6) | 0.1829 (3) | 0.0387 (15) | |
| C14 | 0.1434 (4) | −0.2266 (6) | 0.2193 (5) | 0.068 (2) | |
| H14 | 0.2008 | −0.2507 | 0.2383 | 0.082* | |
| C15 | 0.0875 (6) | −0.3145 (8) | 0.2288 (5) | 0.097 (2) | |
| H15 | 0.1071 | −0.3971 | 0.2545 | 0.116* | |
| C16 | 0.0059 (6) | −0.2816 (8) | 0.2013 (4) | 0.0853 (19) | |
| H16 | −0.0322 | −0.3420 | 0.2069 | 0.102* | |
| C17 | −0.0222 (5) | −0.1622 (7) | 0.1657 (4) | 0.0608 (14) | |
| H17 | −0.0796 | −0.1390 | 0.1474 | 0.073* | |
| C18 | 0.0328 (4) | −0.0738 (6) | 0.1559 (3) | 0.0448 (16) | |
| H18 | 0.0126 | 0.0090 | 0.1307 | 0.054* | |
| C19 | 0.1261 (3) | 0.1512 (5) | 0.1297 (3) | 0.0377 (15) | |
| C20 | 0.1150 (3) | 0.2350 (5) | 0.1821 (4) | 0.0389 (15) | |
| H20 | 0.1442 | 0.2181 | 0.2371 | 0.047* | |
| C21 | 0.0622 (4) | 0.3428 (7) | 0.1557 (4) | 0.0608 (14) | |
| H21 | 0.0536 | 0.3977 | 0.1923 | 0.073* | |
| C22 | 0.0221 (6) | 0.3709 (8) | 0.0766 (5) | 0.0853 (19) | |
| H22 | −0.0124 | 0.4473 | 0.0582 | 0.102* | |
| C23 | 0.0325 (6) | 0.2860 (8) | 0.0239 (5) | 0.097 (2) | |
| H23 | 0.0037 | 0.3030 | −0.0311 | 0.116* | |
| C24 | 0.0842 (5) | 0.1779 (7) | 0.0509 (4) | 0.078 (3) | |
| H24 | 0.0909 | 0.1206 | 0.0142 | 0.094* | |
| C25 | 0.2000 (3) | −0.0681 (5) | 0.0859 (3) | 0.0391 (15) | |
| C26 | 0.2011 (7) | −0.2090 (10) | 0.0842 (7) | 0.039 (3)* | 0.547 (10) |
| H26 | 0.1893 | −0.2624 | 0.1194 | 0.047* | 0.547 (10) |
| C27 | 0.2208 (7) | −0.2625 (12) | 0.0263 (7) | 0.052 (4)* | 0.547 (10) |
| H27 | 0.2197 | −0.3561 | 0.0204 | 0.063* | 0.547 (10) |
| C28 | 0.2412 (8) | −0.1881 (13) | −0.0209 (9) | 0.048 (3)* | 0.547 (10) |
| H28 | 0.2497 | −0.2303 | −0.0617 | 0.058* | 0.547 (10) |
| C26' | 0.1488 (9) | −0.1639 (13) | 0.0340 (8) | 0.045 (4)* | 0.453 (10) |
| H26' | 0.1061 | −0.2001 | 0.0454 | 0.054* | 0.453 (10) |
| C27' | 0.1535 (10) | −0.2134 (15) | −0.0340 (9) | 0.060 (5)* | 0.453 (10) |
| H27' | 0.1188 | −0.2849 | −0.0632 | 0.072* | 0.453 (10) |
| C28' | 0.2087 (10) | −0.1562 (15) | −0.0564 (10) | 0.048 (4)* | 0.453 (10) |
| H28' | 0.2167 | −0.1872 | −0.1000 | 0.057* | 0.453 (10) |
| C29 | 0.2503 (5) | −0.0547 (7) | −0.0130 (4) | 0.063 (2) | |
| H29 | 0.2658 | −0.0021 | −0.0462 | 0.076* | |
| C30 | 0.2354 (6) | −0.0005 (7) | 0.0473 (4) | 0.075 (3) | |
| H30 | 0.2511 | 0.0891 | 0.0619 | 0.090* | |
| N1 | 0.3114 (3) | 0.2499 (4) | 0.2585 (3) | 0.0316 (11) | |
| N2 | 0.3313 (3) | 0.3310 (4) | 0.3217 (3) | 0.0337 (11) | |
| N3 | 0.4364 (3) | 0.0895 (4) | 0.3725 (2) | 0.0281 (10) | |
| N4 | 0.4429 (3) | 0.1907 (4) | 0.4224 (3) | 0.0334 (11) | |
| N5 | 0.2680 (3) | 0.0749 (4) | 0.3548 (3) | 0.0303 (11) | |
| N6 | 0.2968 (3) | 0.1791 (4) | 0.4062 (3) | 0.0389 (12) | |
| N7 | 0.3897 (3) | 0.0274 (4) | 0.2138 (3) | 0.0367 (12) | |
| N8 | 0.4080 (3) | −0.0912 (5) | 0.1936 (3) | 0.0476 (14) | |
| H8' | 0.3887 | −0.1669 | 0.2020 | 0.057* | |
| B1 | 0.3644 (4) | 0.2722 (6) | 0.4052 (4) | 0.0397 (18) | |
| H1' | 0.3771 | 0.3442 | 0.4452 | 0.048* | |
| Cl1 | 0.34907 (9) | −0.18597 (13) | 0.31246 (9) | 0.0368 (4) | |
| Ru1 | 0.32023 (3) | 0.04732 (4) | 0.27709 (3) | 0.02453 (15) | |
| P1 | 0.19260 (9) | 0.00460 (14) | 0.17152 (9) | 0.0329 (4) |
| C1 | 0.055 (4) | 0.032 (4) | 0.040 (4) | −0.002 (3) | 0.010 (3) | 0.011 (3) |
| C2 | 0.067 (5) | 0.027 (4) | 0.059 (5) | −0.006 (3) | 0.016 (4) | 0.020 (3) |
| C3 | 0.052 (4) | 0.020 (3) | 0.071 (5) | −0.007 (3) | 0.028 (4) | −0.001 (3) |
| C4 | 0.034 (3) | 0.037 (4) | 0.045 (4) | 0.003 (3) | 0.013 (3) | 0.005 (3) |
| C5 | 0.032 (4) | 0.059 (4) | 0.043 (4) | −0.006 (3) | −0.008 (3) | 0.014 (4) |
| C6 | 0.052 (4) | 0.047 (4) | 0.026 (4) | −0.023 (4) | 0.000 (3) | 0.000 (3) |
| C7 | 0.032 (3) | 0.034 (3) | 0.052 (4) | −0.001 (3) | 0.016 (3) | 0.013 (3) |
| C8 | 0.055 (4) | 0.063 (5) | 0.072 (5) | −0.004 (4) | 0.047 (4) | 0.002 (4) |
| C9 | 0.078 (5) | 0.054 (4) | 0.068 (5) | 0.003 (4) | 0.058 (5) | −0.004 (4) |
| C10 | 0.064 (5) | 0.061 (4) | 0.049 (4) | −0.017 (4) | 0.037 (4) | −0.001 (4) |
| C11 | 0.088 (6) | 0.087 (6) | 0.074 (6) | −0.008 (5) | 0.063 (5) | 0.003 (5) |
| C12 | 0.078 (6) | 0.086 (6) | 0.066 (5) | 0.010 (5) | 0.053 (5) | −0.008 (4) |
| C13 | 0.034 (3) | 0.033 (3) | 0.036 (4) | −0.007 (3) | 0.004 (3) | −0.009 (3) |
| C14 | 0.049 (4) | 0.028 (4) | 0.108 (7) | −0.025 (3) | 0.017 (4) | 0.005 (4) |
| C15 | 0.128 (6) | 0.072 (4) | 0.048 (4) | 0.049 (4) | 0.001 (4) | 0.007 (3) |
| C16 | 0.123 (5) | 0.068 (4) | 0.054 (4) | 0.031 (4) | 0.030 (4) | −0.003 (3) |
| C17 | 0.058 (3) | 0.076 (4) | 0.051 (3) | 0.016 (3) | 0.026 (3) | −0.006 (3) |
| C18 | 0.043 (4) | 0.054 (4) | 0.036 (4) | −0.006 (3) | 0.016 (3) | −0.002 (3) |
| C19 | 0.038 (3) | 0.030 (3) | 0.028 (4) | 0.009 (3) | −0.001 (3) | −0.005 (3) |
| C20 | 0.034 (3) | 0.036 (3) | 0.032 (4) | 0.010 (3) | 0.002 (3) | 0.002 (3) |
| C21 | 0.058 (3) | 0.076 (4) | 0.051 (3) | 0.016 (3) | 0.026 (3) | −0.006 (3) |
| C22 | 0.123 (5) | 0.068 (4) | 0.054 (4) | 0.031 (4) | 0.030 (4) | −0.003 (3) |
| C23 | 0.128 (6) | 0.072 (4) | 0.048 (4) | 0.049 (4) | 0.001 (4) | 0.007 (3) |
| C24 | 0.101 (6) | 0.070 (5) | 0.032 (4) | 0.056 (5) | 0.002 (4) | 0.000 (4) |
| C25 | 0.030 (3) | 0.031 (3) | 0.045 (4) | 0.001 (3) | 0.007 (3) | −0.013 (3) |
| C29 | 0.087 (5) | 0.061 (5) | 0.040 (4) | −0.017 (4) | 0.026 (4) | −0.003 (4) |
| C30 | 0.151 (8) | 0.044 (4) | 0.032 (4) | −0.041 (5) | 0.043 (5) | −0.017 (3) |
| N1 | 0.039 (3) | 0.017 (2) | 0.033 (3) | −0.002 (2) | 0.011 (3) | 0.001 (2) |
| N2 | 0.038 (3) | 0.018 (3) | 0.043 (3) | −0.005 (2) | 0.017 (3) | −0.003 (2) |
| N3 | 0.026 (3) | 0.029 (3) | 0.024 (3) | −0.001 (2) | 0.008 (2) | 0.000 (2) |
| N4 | 0.041 (3) | 0.033 (3) | 0.021 (3) | −0.009 (2) | 0.008 (2) | −0.003 (2) |
| N5 | 0.030 (3) | 0.025 (3) | 0.034 (3) | 0.002 (2) | 0.012 (2) | 0.001 (2) |
| N6 | 0.049 (3) | 0.033 (3) | 0.044 (3) | −0.001 (2) | 0.029 (3) | −0.005 (2) |
| N7 | 0.042 (3) | 0.035 (3) | 0.037 (3) | 0.001 (2) | 0.021 (3) | −0.006 (2) |
| N8 | 0.058 (4) | 0.044 (3) | 0.052 (4) | 0.001 (3) | 0.034 (3) | −0.010 (3) |
| B1 | 0.049 (5) | 0.029 (4) | 0.045 (5) | −0.006 (3) | 0.025 (4) | −0.008 (3) |
| Cl1 | 0.0399 (8) | 0.0218 (7) | 0.0420 (9) | 0.0043 (6) | 0.0120 (7) | 0.0027 (6) |
| Ru1 | 0.0258 (2) | 0.0193 (2) | 0.0246 (3) | −0.0007 (2) | 0.00759 (19) | 0.0001 (2) |
| P1 | 0.0322 (9) | 0.0231 (8) | 0.0321 (9) | 0.0004 (6) | 0.0039 (7) | −0.0036 (6) |
| C1—N1 | 1.332 (7) | C20—C21 | 1.377 (8) |
| C1—C2 | 1.392 (8) | C20—H20 | 0.9500 |
| C1—H1 | 0.9500 | C21—C22 | 1.371 (9) |
| C2—C3 | 1.363 (9) | C21—H21 | 0.9500 |
| C2—H2 | 0.9500 | C22—C23 | 1.387 (10) |
| C3—N2 | 1.343 (7) | C22—H22 | 0.9500 |
| C3—H3 | 0.9500 | C23—C24 | 1.370 (9) |
| C4—N3 | 1.329 (6) | C23—H23 | 0.9500 |
| C4—C5 | 1.387 (8) | C24—H24 | 0.9500 |
| C4—H4 | 0.9500 | C25—C30 | 1.341 (8) |
| C5—C6 | 1.359 (9) | C25—C26' | 1.390 (14) |
| C5—H5 | 0.9500 | C25—C26 | 1.422 (11) |
| C6—N4 | 1.350 (7) | C25—P1 | 1.835 (6) |
| C6—H6 | 0.9500 | C26—C27 | 1.396 (14) |
| C7—N5 | 1.337 (6) | C26—H26 | 0.9500 |
| C7—C8 | 1.387 (8) | C27—C28 | 1.334 (15) |
| C7—H7 | 0.9500 | C27—H27 | 0.9500 |
| C8—C9 | 1.352 (9) | C28—C29 | 1.355 (14) |
| C8—H8 | 0.9500 | C28—H28 | 0.9500 |
| C9—N6 | 1.346 (7) | C26'—C27' | 1.416 (18) |
| C9—H9 | 0.9500 | C26'—H26' | 0.9500 |
| C10—N7 | 1.326 (7) | C27'—C28' | 1.358 (19) |
| C10—C11 | 1.382 (9) | C27'—H27' | 0.9500 |
| C10—H10 | 0.9500 | C28'—C29 | 1.316 (16) |
| C11—C12 | 1.354 (9) | C28'—H28' | 0.9500 |
| C11—H11 | 0.9500 | C29—C30 | 1.392 (9) |
| C12—N8 | 1.332 (7) | C29—H29 | 0.9500 |
| C12—H12 | 0.9500 | C30—H30 | 0.9500 |
| C13—C14 | 1.371 (8) | N1—N2 | 1.359 (6) |
| C13—C18 | 1.384 (8) | N2—B1 | 1.539 (8) |
| C13—P1 | 1.838 (6) | N3—N4 | 1.361 (6) |
| C14—C15 | 1.402 (11) | N4—B1 | 1.524 (8) |
| C14—H14 | 0.9500 | N5—N6 | 1.367 (6) |
| C15—C16 | 1.347 (11) | N6—B1 | 1.531 (8) |
| C15—H15 | 0.9500 | N7—N8 | 1.339 (6) |
| C16—C17 | 1.362 (9) | N8—H8' | 0.8800 |
| C16—H16 | 0.9500 | B1—H1' | 1.0000 |
| C17—C18 | 1.394 (8) | Ru1—N1 | 2.067 (4) |
| C17—H17 | 0.9500 | Ru1—N3 | 2.097 (4) |
| C18—H18 | 0.9500 | Ru1—N5 | 2.076 (4) |
| C19—C24 | 1.365 (8) | Ru1—N7 | 2.076 (4) |
| C19—C20 | 1.382 (7) | Ru1—P1 | 2.3031 (15) |
| C19—P1 | 1.839 (5) | Ru1—Cl1 | 2.4374 (14) |
| N1—C1—C2 | 110.2 (6) | C27—C26—C25 | 114.5 (9) |
| N1—C1—H1 | 124.9 | C27—C26—H26 | 122.8 |
| C2—C1—H1 | 124.9 | C25—C26—H26 | 122.8 |
| C3—C2—C1 | 105.2 (5) | C28—C27—C26 | 123.0 (12) |
| C3—C2—H2 | 127.4 | C28—C27—H27 | 118.5 |
| C1—C2—H2 | 127.4 | C26—C27—H27 | 118.5 |
| N2—C3—C2 | 108.5 (5) | C27—C28—C29 | 122.6 (12) |
| N2—C3—H3 | 125.8 | C27—C28—H28 | 118.7 |
| C2—C3—H3 | 125.8 | C29—C28—H28 | 118.7 |
| N3—C4—C5 | 110.8 (6) | C25—C26'—C27' | 127.1 (12) |
| N3—C4—H4 | 124.6 | C25—C26'—H26' | 116.5 |
| C5—C4—H4 | 124.6 | C27'—C26'—H26' | 116.5 |
| C6—C5—C4 | 105.1 (6) | C28'—C27'—C26' | 118.4 (15) |
| C6—C5—H5 | 127.5 | C28'—C27'—H27' | 120.8 |
| C4—C5—H5 | 127.5 | C26'—C27'—H27' | 120.8 |
| N4—C6—C5 | 108.5 (5) | C29—C28'—C27' | 114.9 (13) |
| N4—C6—H6 | 125.8 | C29—C28'—H28' | 122.6 |
| C5—C6—H6 | 125.8 | C27'—C28'—H28' | 122.6 |
| N5—C7—C8 | 110.1 (5) | C28'—C29—C28 | 32.0 (7) |
| N5—C7—H7 | 124.9 | C28'—C29—C30 | 123.9 (9) |
| C8—C7—H7 | 124.9 | C28—C29—C30 | 115.0 (8) |
| C9—C8—C7 | 105.7 (5) | C28'—C29—H29 | 105.7 |
| C9—C8—H8 | 127.1 | C28—C29—H29 | 122.5 |
| C7—C8—H8 | 127.1 | C30—C29—H29 | 122.5 |
| N6—C9—C8 | 108.8 (6) | C25—C30—C29 | 123.5 (6) |
| N6—C9—H9 | 125.6 | C25—C30—H30 | 118.2 |
| C8—C9—H9 | 125.6 | C29—C30—H30 | 118.2 |
| N7—C10—C11 | 111.4 (6) | C1—N1—N2 | 106.4 (4) |
| N7—C10—H10 | 124.3 | C1—N1—Ru1 | 135.2 (4) |
| C11—C10—H10 | 124.3 | N2—N1—Ru1 | 118.4 (3) |
| C12—C11—C10 | 104.8 (6) | C3—N2—N1 | 109.7 (5) |
| C12—C11—H11 | 127.6 | C3—N2—B1 | 130.1 (5) |
| C10—C11—H11 | 127.6 | N1—N2—B1 | 120.1 (4) |
| N8—C12—C11 | 107.4 (6) | C4—N3—N4 | 106.0 (5) |
| N8—C12—H12 | 126.3 | C4—N3—Ru1 | 134.1 (4) |
| C11—C12—H12 | 126.3 | N4—N3—Ru1 | 119.8 (3) |
| C14—C13—C18 | 118.2 (6) | C6—N4—N3 | 109.6 (5) |
| C14—C13—P1 | 119.2 (5) | C6—N4—B1 | 132.5 (5) |
| C18—C13—P1 | 122.7 (5) | N3—N4—B1 | 117.9 (5) |
| C13—C14—C15 | 121.0 (7) | C7—N5—N6 | 106.1 (4) |
| C13—C14—H14 | 119.5 | C7—N5—Ru1 | 136.3 (4) |
| C15—C14—H14 | 119.5 | N6—N5—Ru1 | 117.5 (3) |
| C16—C15—C14 | 119.9 (8) | C9—N6—N5 | 109.3 (5) |
| C16—C15—H15 | 120.0 | C9—N6—B1 | 129.9 (5) |
| C14—C15—H15 | 120.0 | N5—N6—B1 | 120.7 (4) |
| C15—C16—C17 | 120.3 (9) | C10—N7—N8 | 104.5 (5) |
| C15—C16—H16 | 119.9 | C10—N7—Ru1 | 133.0 (4) |
| C17—C16—H16 | 119.9 | N8—N7—Ru1 | 122.2 (4) |
| C16—C17—C18 | 120.4 (7) | C12—N8—N7 | 111.9 (5) |
| C16—C17—H17 | 119.8 | C12—N8—H8' | 124.0 |
| C18—C17—H17 | 119.8 | N7—N8—H8' | 124.0 |
| C13—C18—C17 | 120.2 (6) | N4—B1—N6 | 108.4 (5) |
| C13—C18—H18 | 119.9 | N4—B1—N2 | 108.9 (5) |
| C17—C18—H18 | 119.9 | N6—B1—N2 | 107.7 (5) |
| C24—C19—C20 | 118.7 (5) | N4—B1—H1' | 110.6 |
| C24—C19—P1 | 124.3 (5) | N6—B1—H1' | 110.6 |
| C20—C19—P1 | 116.9 (4) | N2—B1—H1' | 110.6 |
| C21—C20—C19 | 120.9 (6) | N1—Ru1—N5 | 87.90 (16) |
| C21—C20—H20 | 119.5 | N1—Ru1—N7 | 91.02 (17) |
| C19—C20—H20 | 119.5 | N5—Ru1—N7 | 171.23 (18) |
| C22—C21—C20 | 119.9 (6) | N1—Ru1—N3 | 85.26 (17) |
| C22—C21—H21 | 120.0 | N5—Ru1—N3 | 86.71 (17) |
| C20—C21—H21 | 120.0 | N7—Ru1—N3 | 84.53 (17) |
| C21—C22—C23 | 119.1 (7) | N1—Ru1—P1 | 93.79 (13) |
| C21—C22—H22 | 120.4 | N5—Ru1—P1 | 93.51 (13) |
| C23—C22—H22 | 120.4 | N7—Ru1—P1 | 95.25 (13) |
| C24—C23—C22 | 120.3 (7) | N3—Ru1—P1 | 179.02 (12) |
| C24—C23—H23 | 119.8 | N1—Ru1—Cl1 | 172.51 (13) |
| C22—C23—H23 | 119.8 | N5—Ru1—Cl1 | 92.33 (12) |
| C19—C24—C23 | 120.9 (6) | N7—Ru1—Cl1 | 87.62 (13) |
| C19—C24—H24 | 119.5 | N3—Ru1—Cl1 | 87.28 (12) |
| C23—C24—H24 | 119.5 | P1—Ru1—Cl1 | 93.67 (5) |
| C30—C25—C26' | 106.7 (7) | C25—P1—C13 | 101.8 (3) |
| C30—C25—C26 | 118.8 (7) | C25—P1—C19 | 103.0 (3) |
| C26'—C25—C26 | 45.6 (6) | C13—P1—C19 | 100.0 (3) |
| C30—C25—P1 | 120.8 (4) | C25—P1—Ru1 | 114.28 (18) |
| C26'—C25—P1 | 128.3 (7) | C13—P1—Ru1 | 120.32 (19) |
| C26—C25—P1 | 115.2 (6) | C19—P1—Ru1 | 114.91 (19) |
| H··· | ||||
| N8—H8'···Cl1 | 0.88 | 2.49 | 3.025 (6) | 120 |
Selected bond lengths (Å)
| Ru1—N1 | 2.067 (4) |
| Ru1—N3 | 2.097 (4) |
| Ru1—N5 | 2.076 (4) |
| Ru1—N7 | 2.076 (4) |
| Ru1—P1 | 2.3031 (15) |
| Ru1—Cl1 | 2.4374 (14) |
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| N8—H8′⋯Cl1 | 0.88 | 2.49 | 3.025 (6) | 120 |