Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806018277/hb2057sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806018277/hb2057Isup2.hkl |
CCDC reference: 610791
Data collection: SMART (Bruker, 2003); cell refinement: SAINT (Bruker, 2003); data reduction: SAINT, SADABS and XPREP in SHELXTL (Bruker, 2003); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.
[Ru(C9H10BN6)Cl(C3H7NO)(C12H12N3P)] | F(000) = 1328 |
Mr = 651.87 | Dx = 1.504 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2yn | Cell parameters from 819 reflections |
a = 10.046 (2) Å | θ = 2.5–29.6° |
b = 22.749 (4) Å | µ = 0.73 mm−1 |
c = 12.683 (2) Å | T = 298 K |
β = 96.78 (1)° | Prism, yellow |
V = 2878.3 (9) Å3 | 0.59 × 0.38 × 0.31 mm |
Z = 4 |
Bruker SMART CCD diffractometer | 8277 independent reflections |
Radiation source: fine-focus sealed tube | 7117 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.021 |
ω scans | θmax = 30.1°, θmin = 1.9° |
Absorption correction: multi-scan (SADABS; Bruker, 2003) | h = −14→8 |
Tmin = 0.641, Tmax = 0.797 | k = −29→32 |
23769 measured reflections | l = −17→17 |
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.025 | H-atom parameters constrained |
wR(F2) = 0.058 | w = 1/[σ2(Fo2) + (0.023P)2 + 0.8425P] where P = (Fo2 + 2Fc2)/3 |
S = 1.06 | (Δ/σ)max = 0.001 |
8277 reflections | Δρmax = 0.35 e Å−3 |
355 parameters | Δρmin = −0.45 e Å−3 |
0 restraints | Extinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.00085 (15) |
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 | ||
Ru | 0.197717 (11) | 0.180074 (5) | 0.342503 (9) | 0.02535 (4) | |
Cl | −0.02355 (4) | 0.193084 (19) | 0.39655 (4) | 0.04310 (9) | |
N1 | 0.43521 (13) | 0.22490 (6) | 0.24723 (10) | 0.0359 (3) | |
N2 | 0.39483 (12) | 0.18227 (5) | 0.31132 (10) | 0.0313 (2) | |
C1 | 0.50270 (16) | 0.14952 (8) | 0.34273 (14) | 0.0410 (4) | |
H1 | 0.5036 | 0.1172 | 0.3878 | 0.049* | |
C2 | 0.61323 (18) | 0.17065 (9) | 0.29842 (18) | 0.0524 (5) | |
H2 | 0.7001 | 0.1558 | 0.3073 | 0.063* | |
C3 | 0.56671 (17) | 0.21812 (9) | 0.23886 (15) | 0.0480 (4) | |
H3 | 0.6175 | 0.2418 | 0.1992 | 0.058* | |
N3 | 0.28494 (14) | 0.30411 (6) | 0.29964 (11) | 0.0366 (3) | |
N4 | 0.22236 (13) | 0.27209 (5) | 0.36985 (10) | 0.0323 (3) | |
C4 | 0.19130 (19) | 0.30905 (7) | 0.44375 (15) | 0.0432 (4) | |
H4 | 0.1472 | 0.2986 | 0.5015 | 0.052* | |
C5 | 0.2338 (2) | 0.36564 (8) | 0.42306 (17) | 0.0559 (5) | |
H5 | 0.2248 | 0.3994 | 0.4629 | 0.067* | |
C6 | 0.2920 (2) | 0.36070 (8) | 0.33119 (17) | 0.0509 (4) | |
H6 | 0.3300 | 0.3913 | 0.2963 | 0.061* | |
N5 | 0.21546 (14) | 0.24260 (6) | 0.14015 (10) | 0.0377 (3) | |
N6 | 0.13779 (12) | 0.20346 (6) | 0.18697 (10) | 0.0324 (3) | |
C7 | 0.03901 (18) | 0.18808 (8) | 0.11270 (14) | 0.0434 (4) | |
H7 | −0.0297 | 0.1621 | 0.1231 | 0.052* | |
C8 | 0.0531 (2) | 0.21622 (10) | 0.01773 (15) | 0.0557 (5) | |
H8 | −0.0022 | 0.2128 | −0.0462 | 0.067* | |
C9 | 0.1656 (2) | 0.25013 (9) | 0.03806 (14) | 0.0504 (4) | |
H9 | 0.2015 | 0.2743 | −0.0106 | 0.061* | |
B | 0.33621 (19) | 0.27295 (8) | 0.20413 (15) | 0.0382 (4) | |
H | 0.3840 | 0.3044 | 0.1545 | 0.046* | |
P | 0.17964 (4) | 0.085885 (16) | 0.30334 (3) | 0.02963 (8) | |
N7 | 0.29614 (14) | 0.05922 (6) | 0.22569 (11) | 0.0388 (3) | |
C10 | 0.33105 (19) | 0.08761 (9) | 0.13656 (15) | 0.0478 (4) | |
H10 | 0.2976 | 0.1235 | 0.1101 | 0.057* | |
C11 | 0.4233 (2) | 0.05361 (11) | 0.09426 (18) | 0.0622 (6) | |
H11 | 0.4635 | 0.0621 | 0.0336 | 0.075* | |
C12 | 0.4465 (2) | 0.00375 (10) | 0.1583 (2) | 0.0642 (6) | |
H12 | 0.5053 | −0.0267 | 0.1478 | 0.077* | |
C13 | 0.36861 (19) | 0.00744 (8) | 0.23832 (17) | 0.0494 (4) | |
H13 | 0.3646 | −0.0200 | 0.2922 | 0.059* | |
N8 | 0.03855 (13) | 0.05892 (6) | 0.22971 (11) | 0.0374 (3) | |
C14 | 0.0303 (2) | 0.01708 (8) | 0.14938 (14) | 0.0485 (4) | |
H14 | 0.1023 | 0.0004 | 0.1204 | 0.058* | |
C15 | −0.1014 (2) | 0.00486 (10) | 0.12071 (16) | 0.0619 (6) | |
H15 | −0.1353 | −0.0215 | 0.0682 | 0.074* | |
C16 | −0.1771 (2) | 0.03880 (11) | 0.18390 (18) | 0.0630 (6) | |
H16 | −0.2700 | 0.0389 | 0.1811 | 0.076* | |
C17 | −0.09054 (18) | 0.07145 (9) | 0.24993 (17) | 0.0519 (5) | |
H17 | −0.1142 | 0.0979 | 0.3005 | 0.062* | |
N9 | 0.19585 (15) | 0.03329 (6) | 0.40131 (11) | 0.0393 (3) | |
C18 | 0.1278 (2) | −0.02017 (9) | 0.40201 (17) | 0.0555 (5) | |
H18 | 0.0549 | −0.0315 | 0.3542 | 0.067* | |
C19 | 0.1860 (3) | −0.05284 (10) | 0.4844 (2) | 0.0720 (7) | |
H19 | 0.1604 | −0.0904 | 0.5027 | 0.086* | |
C20 | 0.2926 (3) | −0.01965 (10) | 0.53732 (18) | 0.0643 (6) | |
H20 | 0.3490 | −0.0313 | 0.5971 | 0.077* | |
C21 | 0.2981 (2) | 0.03241 (8) | 0.48528 (15) | 0.0480 (4) | |
H21 | 0.3599 | 0.0623 | 0.5029 | 0.058* | |
O | 0.27747 (12) | 0.17020 (5) | 0.50403 (9) | 0.0383 (2) | |
C22 | 0.22069 (19) | 0.15521 (8) | 0.58024 (14) | 0.0423 (4) | |
H22 | 0.1308 | 0.1446 | 0.5680 | 0.051* | |
N10 | 0.28033 (19) | 0.15337 (7) | 0.67866 (12) | 0.0516 (4) | |
C23 | 0.4197 (3) | 0.16935 (15) | 0.7036 (2) | 0.0976 (11) | |
H23A | 0.4304 | 0.1931 | 0.7666 | 0.146* | |
H23B | 0.4484 | 0.1912 | 0.6455 | 0.146* | |
H23C | 0.4730 | 0.1344 | 0.7151 | 0.146* | |
C24 | 0.2099 (3) | 0.13201 (15) | 0.7654 (2) | 0.0953 (10) | |
H24A | 0.2279 | 0.1577 | 0.8255 | 0.143* | |
H24B | 0.2403 | 0.0930 | 0.7848 | 0.143* | |
H24C | 0.1153 | 0.1313 | 0.7429 | 0.143* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ru | 0.02500 (5) | 0.02579 (6) | 0.02518 (6) | 0.00209 (4) | 0.00266 (4) | −0.00086 (4) |
Cl | 0.03064 (18) | 0.0484 (2) | 0.0521 (2) | 0.00268 (15) | 0.01228 (16) | −0.00479 (18) |
N1 | 0.0320 (6) | 0.0406 (7) | 0.0360 (7) | −0.0056 (5) | 0.0070 (5) | −0.0021 (5) |
N2 | 0.0271 (6) | 0.0332 (6) | 0.0331 (6) | 0.0014 (5) | 0.0021 (5) | −0.0032 (5) |
C1 | 0.0309 (8) | 0.0432 (9) | 0.0476 (9) | 0.0083 (6) | −0.0005 (7) | −0.0066 (7) |
C2 | 0.0275 (8) | 0.0630 (12) | 0.0669 (12) | 0.0056 (7) | 0.0062 (8) | −0.0175 (10) |
C3 | 0.0350 (8) | 0.0598 (11) | 0.0517 (10) | −0.0098 (8) | 0.0153 (7) | −0.0136 (9) |
N3 | 0.0411 (7) | 0.0280 (6) | 0.0399 (7) | −0.0017 (5) | 0.0015 (6) | 0.0030 (5) |
N4 | 0.0354 (6) | 0.0292 (6) | 0.0314 (6) | 0.0032 (5) | 0.0002 (5) | 0.0003 (5) |
C4 | 0.0502 (10) | 0.0373 (9) | 0.0415 (9) | 0.0074 (7) | 0.0034 (7) | −0.0064 (7) |
C5 | 0.0733 (14) | 0.0308 (9) | 0.0624 (12) | 0.0055 (8) | 0.0036 (10) | −0.0115 (8) |
C6 | 0.0614 (12) | 0.0276 (8) | 0.0622 (12) | −0.0018 (7) | 0.0015 (9) | 0.0018 (8) |
N5 | 0.0414 (7) | 0.0416 (7) | 0.0292 (6) | −0.0022 (6) | 0.0006 (5) | 0.0048 (5) |
N6 | 0.0310 (6) | 0.0359 (6) | 0.0293 (6) | 0.0010 (5) | −0.0006 (5) | 0.0013 (5) |
C7 | 0.0380 (8) | 0.0500 (10) | 0.0393 (9) | −0.0012 (7) | −0.0071 (7) | −0.0009 (7) |
C8 | 0.0562 (11) | 0.0721 (14) | 0.0343 (9) | 0.0002 (10) | −0.0132 (8) | 0.0031 (9) |
C9 | 0.0583 (11) | 0.0611 (12) | 0.0301 (8) | −0.0005 (9) | −0.0022 (7) | 0.0098 (8) |
B | 0.0414 (9) | 0.0380 (9) | 0.0352 (9) | −0.0063 (7) | 0.0048 (7) | 0.0048 (7) |
P | 0.03114 (18) | 0.02716 (17) | 0.03127 (18) | 0.00067 (13) | 0.00660 (14) | −0.00224 (14) |
N7 | 0.0398 (7) | 0.0348 (7) | 0.0437 (7) | −0.0001 (5) | 0.0132 (6) | −0.0091 (6) |
C10 | 0.0525 (10) | 0.0518 (11) | 0.0420 (9) | −0.0041 (8) | 0.0179 (8) | −0.0100 (8) |
C11 | 0.0576 (12) | 0.0772 (15) | 0.0569 (12) | −0.0100 (11) | 0.0281 (10) | −0.0274 (11) |
C12 | 0.0519 (12) | 0.0609 (13) | 0.0832 (16) | 0.0074 (10) | 0.0215 (11) | −0.0298 (12) |
C13 | 0.0459 (10) | 0.0385 (9) | 0.0649 (12) | 0.0062 (7) | 0.0117 (9) | −0.0131 (8) |
N8 | 0.0361 (7) | 0.0362 (7) | 0.0402 (7) | −0.0057 (5) | 0.0060 (5) | −0.0060 (5) |
C14 | 0.0608 (11) | 0.0470 (10) | 0.0387 (9) | −0.0136 (8) | 0.0092 (8) | −0.0103 (7) |
C15 | 0.0719 (14) | 0.0689 (14) | 0.0435 (10) | −0.0328 (11) | 0.0005 (10) | −0.0083 (9) |
C16 | 0.0441 (11) | 0.0794 (16) | 0.0645 (13) | −0.0236 (10) | 0.0024 (9) | −0.0031 (11) |
C17 | 0.0371 (9) | 0.0590 (12) | 0.0602 (12) | −0.0072 (8) | 0.0089 (8) | −0.0120 (9) |
N9 | 0.0465 (8) | 0.0311 (7) | 0.0409 (7) | 0.0026 (5) | 0.0081 (6) | 0.0032 (5) |
C18 | 0.0686 (13) | 0.0414 (10) | 0.0584 (12) | −0.0104 (9) | 0.0151 (10) | 0.0063 (9) |
C19 | 0.104 (2) | 0.0421 (11) | 0.0713 (15) | −0.0031 (12) | 0.0176 (14) | 0.0195 (10) |
C20 | 0.0854 (16) | 0.0516 (12) | 0.0554 (12) | 0.0193 (11) | 0.0066 (11) | 0.0170 (10) |
C21 | 0.0581 (11) | 0.0409 (9) | 0.0436 (9) | 0.0098 (8) | 0.0007 (8) | 0.0036 (7) |
O | 0.0447 (6) | 0.0405 (6) | 0.0291 (5) | 0.0001 (5) | 0.0015 (5) | 0.0018 (4) |
C22 | 0.0478 (9) | 0.0418 (9) | 0.0377 (8) | 0.0054 (7) | 0.0069 (7) | 0.0033 (7) |
N10 | 0.0762 (12) | 0.0471 (9) | 0.0312 (7) | 0.0046 (8) | 0.0047 (7) | 0.0063 (6) |
C23 | 0.107 (2) | 0.118 (3) | 0.0580 (15) | −0.0503 (19) | −0.0292 (15) | 0.0248 (15) |
C24 | 0.115 (2) | 0.121 (3) | 0.0543 (14) | 0.0221 (19) | 0.0312 (15) | 0.0356 (16) |
Ru—N2 | 2.0652 (13) | N7—C13 | 1.384 (2) |
Ru—N4 | 2.1315 (13) | C10—C11 | 1.364 (3) |
Ru—N6 | 2.0631 (13) | C10—H10 | 0.9300 |
Ru—O | 2.1217 (12) | C11—C12 | 1.399 (4) |
Ru—P | 2.2022 (5) | C11—H11 | 0.9300 |
Ru—Cl | 2.4204 (6) | C12—C13 | 1.355 (3) |
P—N7 | 1.7261 (14) | C12—H12 | 0.9300 |
P—N8 | 1.7161 (14) | C13—H13 | 0.9300 |
P—N9 | 1.7188 (14) | N8—C17 | 1.381 (2) |
N1—C3 | 1.347 (2) | N8—C14 | 1.390 (2) |
N1—N2 | 1.3578 (18) | C14—C15 | 1.359 (3) |
N1—B | 1.534 (2) | C14—H14 | 0.9300 |
N2—C1 | 1.336 (2) | C15—C16 | 1.400 (3) |
C1—C2 | 1.388 (3) | C15—H15 | 0.9300 |
C1—H1 | 0.9300 | C16—C17 | 1.355 (3) |
C2—C3 | 1.368 (3) | C16—H16 | 0.9300 |
C2—H2 | 0.9300 | C17—H17 | 0.9300 |
C3—H3 | 0.9300 | N9—C21 | 1.390 (2) |
N3—C6 | 1.347 (2) | N9—C18 | 1.396 (2) |
N3—N4 | 1.3604 (18) | C18—C19 | 1.357 (3) |
N3—B | 1.544 (2) | C18—H18 | 0.9300 |
N4—C4 | 1.324 (2) | C19—C20 | 1.414 (4) |
C4—C5 | 1.391 (3) | C19—H19 | 0.9300 |
C4—H4 | 0.9300 | C20—C21 | 1.360 (3) |
C5—C6 | 1.368 (3) | C20—H20 | 0.9300 |
C5—H5 | 0.9300 | C21—H21 | 0.9300 |
C6—H6 | 0.9300 | O—C22 | 1.227 (2) |
N5—C9 | 1.343 (2) | C22—N10 | 1.320 (2) |
N5—N6 | 1.3652 (18) | C22—H22 | 0.9300 |
N5—B | 1.541 (2) | N10—C23 | 1.445 (3) |
N6—C7 | 1.332 (2) | N10—C24 | 1.459 (3) |
C7—C8 | 1.386 (3) | C23—H23A | 0.9600 |
C7—H7 | 0.9300 | C23—H23B | 0.9600 |
C8—C9 | 1.368 (3) | C23—H23C | 0.9600 |
C8—H8 | 0.9300 | C24—H24A | 0.9600 |
C9—H9 | 0.9300 | C24—H24B | 0.9600 |
B—H | 1.1000 | C24—H24C | 0.9600 |
N7—C10 | 1.383 (2) | ||
O—Ru—P | 97.27 (3) | N9—P—N7 | 98.92 (7) |
O—Ru—Cl | 89.67 (4) | N8—P—Ru | 120.75 (5) |
P—Ru—Cl | 97.40 (2) | N9—P—Ru | 121.06 (5) |
O—Ru—N6 | 170.00 (5) | N7—P—Ru | 115.29 (5) |
P—Ru—N4 | 175.69 (4) | C10—N7—C13 | 108.14 (15) |
Cl—Ru—N2 | 169.96 (4) | C10—N7—P | 123.84 (13) |
N6—Ru—N2 | 89.36 (5) | C13—N7—P | 128.01 (13) |
N2—Ru—O | 85.76 (5) | C11—C10—N7 | 107.8 (2) |
N6—Ru—N4 | 85.27 (5) | C11—C10—H10 | 126.1 |
N2—Ru—N4 | 84.94 (5) | N7—C10—H10 | 126.1 |
O—Ru—N4 | 85.61 (5) | C10—C11—C12 | 107.81 (19) |
N6—Ru—P | 91.62 (4) | C10—C11—H11 | 126.1 |
N2—Ru—P | 92.05 (4) | C12—C11—H11 | 126.1 |
N6—Ru—Cl | 93.74 (4) | C13—C12—C11 | 108.24 (18) |
N4—Ru—Cl | 85.80 (4) | C13—C12—H12 | 125.9 |
C3—N1—N2 | 109.30 (14) | C11—C12—H12 | 125.9 |
C3—N1—B | 130.85 (15) | C12—C13—N7 | 107.96 (19) |
N2—N1—B | 119.69 (12) | C12—C13—H13 | 126.0 |
C1—N2—N1 | 106.71 (13) | N7—C13—H13 | 126.0 |
C1—N2—Ru | 133.75 (12) | C17—N8—C14 | 107.56 (15) |
N1—N2—Ru | 119.53 (9) | C17—N8—P | 123.96 (12) |
N2—C1—C2 | 110.21 (17) | C14—N8—P | 128.14 (13) |
N2—C1—H1 | 124.9 | C15—C14—N8 | 107.94 (18) |
C2—C1—H1 | 124.9 | C15—C14—H14 | 126.0 |
C3—C2—C1 | 105.03 (15) | N8—C14—H14 | 126.0 |
C3—C2—H2 | 127.5 | C14—C15—C16 | 108.15 (18) |
C1—C2—H2 | 127.5 | C14—C15—H15 | 125.9 |
N1—C3—C2 | 108.74 (16) | C16—C15—H15 | 125.9 |
N1—C3—H3 | 125.6 | C17—C16—C15 | 107.68 (19) |
C2—C3—H3 | 125.6 | C17—C16—H16 | 126.2 |
C6—N3—N4 | 109.22 (14) | C15—C16—H16 | 126.2 |
C6—N3—B | 131.39 (15) | C16—C17—N8 | 108.67 (18) |
N4—N3—B | 119.37 (13) | C16—C17—H17 | 125.7 |
C4—N4—N3 | 106.81 (14) | N8—C17—H17 | 125.7 |
C4—N4—Ru | 134.95 (12) | C21—N9—C18 | 107.52 (15) |
N3—N4—Ru | 118.24 (9) | C21—N9—P | 124.22 (13) |
N4—C4—C5 | 110.55 (17) | C18—N9—P | 127.33 (14) |
N4—C4—H4 | 124.7 | C19—C18—N9 | 108.4 (2) |
C5—C4—H4 | 124.7 | C19—C18—H18 | 125.8 |
C6—C5—C4 | 104.83 (16) | N9—C18—H18 | 125.8 |
C6—C5—H5 | 127.6 | C18—C19—C20 | 107.86 (19) |
C4—C5—H5 | 127.6 | C18—C19—H19 | 126.1 |
N3—C6—C5 | 108.59 (16) | C20—C19—H19 | 126.1 |
N3—C6—H6 | 125.7 | C21—C20—C19 | 107.9 (2) |
C5—C6—H6 | 125.7 | C21—C20—H20 | 126.1 |
C9—N5—N6 | 109.60 (14) | C19—C20—H20 | 126.1 |
C9—N5—B | 129.15 (15) | C20—C21—N9 | 108.39 (19) |
N6—N5—B | 121.20 (12) | C20—C21—H21 | 125.8 |
C7—N6—N5 | 106.26 (13) | N9—C21—H21 | 125.8 |
C7—N6—Ru | 135.85 (12) | C22—O—Ru | 129.21 (12) |
N5—N6—Ru | 117.83 (9) | O—C22—N10 | 123.53 (18) |
N6—C7—C8 | 110.46 (17) | O—C22—H22 | 118.2 |
N6—C7—H7 | 124.8 | N10—C22—H22 | 118.2 |
C8—C7—H7 | 124.8 | C22—N10—C23 | 121.24 (18) |
C9—C8—C7 | 105.28 (16) | C22—N10—C24 | 121.1 (2) |
C9—C8—H8 | 127.4 | C23—N10—C24 | 117.5 (2) |
C7—C8—H8 | 127.4 | N10—C23—H23A | 109.5 |
N5—C9—C8 | 108.39 (17) | N10—C23—H23B | 109.5 |
N5—C9—H9 | 125.8 | H23A—C23—H23B | 109.5 |
C8—C9—H9 | 125.8 | N10—C23—H23C | 109.5 |
N1—B—N5 | 107.77 (14) | H23A—C23—H23C | 109.5 |
N1—B—N3 | 108.06 (13) | H23B—C23—H23C | 109.5 |
N5—B—N3 | 107.71 (14) | N10—C24—H24A | 109.5 |
N1—B—H | 111.1 | N10—C24—H24B | 109.5 |
N5—B—H | 111.1 | H24A—C24—H24B | 109.5 |
N3—B—H | 111.1 | N10—C24—H24C | 109.5 |
N8—P—N9 | 98.41 (7) | H24A—C24—H24C | 109.5 |
N8—P—N7 | 97.82 (7) | H24B—C24—H24C | 109.5 |
C3—N1—N2—C1 | 0.38 (17) | N6—N5—B—N3 | −55.61 (19) |
B—N1—N2—C1 | −175.53 (14) | C6—N3—B—N1 | 120.40 (19) |
C3—N1—N2—Ru | 179.49 (11) | N4—N3—B—N1 | −58.21 (18) |
B—N1—N2—Ru | 3.58 (18) | C6—N3—B—N5 | −123.43 (19) |
N6—Ru—N2—C1 | −142.27 (15) | N4—N3—B—N5 | 57.97 (18) |
O—Ru—N2—C1 | 46.46 (15) | N6—Ru—P—N8 | −48.28 (7) |
N4—Ru—N2—C1 | 132.42 (15) | N2—Ru—P—N8 | −137.70 (7) |
P—Ru—N2—C1 | −50.68 (15) | O—Ru—P—N8 | 136.31 (6) |
Cl—Ru—N2—C1 | 109.6 (2) | Cl—Ru—P—N8 | 45.70 (6) |
N6—Ru—N2—N1 | 38.91 (11) | N6—Ru—P—N9 | −172.14 (7) |
O—Ru—N2—N1 | −132.36 (11) | N2—Ru—P—N9 | 98.44 (7) |
N4—Ru—N2—N1 | −46.40 (11) | O—Ru—P—N9 | 12.45 (7) |
P—Ru—N2—N1 | 130.51 (10) | Cl—Ru—P—N9 | −78.16 (6) |
Cl—Ru—N2—N1 | −69.2 (3) | N6—Ru—P—N7 | 68.86 (7) |
N1—N2—C1—C2 | −0.40 (19) | N2—Ru—P—N7 | −20.56 (7) |
Ru—N2—C1—C2 | −179.33 (12) | O—Ru—P—N7 | −106.55 (7) |
N2—C1—C2—C3 | 0.3 (2) | Cl—Ru—P—N7 | 162.84 (6) |
N2—N1—C3—C2 | −0.2 (2) | N8—P—N7—C10 | 84.37 (15) |
B—N1—C3—C2 | 175.08 (17) | N9—P—N7—C10 | −175.78 (14) |
C1—C2—C3—N1 | 0.0 (2) | Ru—P—N7—C10 | −45.10 (16) |
C6—N3—N4—C4 | 0.07 (19) | N8—P—N7—C13 | −94.73 (16) |
B—N3—N4—C4 | 178.96 (14) | N9—P—N7—C13 | 5.11 (17) |
C6—N3—N4—Ru | −179.31 (11) | Ru—P—N7—C13 | 135.79 (14) |
B—N3—N4—Ru | −0.43 (18) | C13—N7—C10—C11 | 0.4 (2) |
N6—Ru—N4—C4 | 135.72 (16) | P—N7—C10—C11 | −178.87 (14) |
N2—Ru—N4—C4 | −134.50 (16) | N7—C10—C11—C12 | −0.4 (2) |
O—Ru—N4—C4 | −48.38 (16) | C10—C11—C12—C13 | 0.3 (3) |
Cl—Ru—N4—C4 | 41.62 (16) | C11—C12—C13—N7 | 0.0 (2) |
N6—Ru—N4—N3 | −45.11 (11) | C10—N7—C13—C12 | −0.2 (2) |
N2—Ru—N4—N3 | 44.67 (11) | P—N7—C13—C12 | 178.99 (14) |
O—Ru—N4—N3 | 130.79 (11) | N9—P—N8—C17 | 85.71 (16) |
Cl—Ru—N4—N3 | −139.22 (11) | N7—P—N8—C17 | −174.01 (16) |
N3—N4—C4—C5 | −0.3 (2) | Ru—P—N8—C17 | −48.31 (17) |
Ru—N4—C4—C5 | 178.91 (13) | N9—P—N8—C14 | −86.70 (16) |
N4—C4—C5—C6 | 0.4 (2) | N7—P—N8—C14 | 13.58 (17) |
N4—N3—C6—C5 | 0.2 (2) | Ru—P—N8—C14 | 139.28 (14) |
B—N3—C6—C5 | −178.50 (18) | C17—N8—C14—C15 | 0.6 (2) |
C4—C5—C6—N3 | −0.4 (2) | P—N8—C14—C15 | 173.95 (14) |
C9—N5—N6—C7 | −1.02 (19) | N8—C14—C15—C16 | −0.5 (3) |
B—N5—N6—C7 | 176.52 (15) | C14—C15—C16—C17 | 0.3 (3) |
C9—N5—N6—Ru | 176.66 (12) | C15—C16—C17—N8 | 0.1 (3) |
B—N5—N6—Ru | −5.80 (19) | C14—N8—C17—C16 | −0.4 (2) |
N2—Ru—N6—C7 | 139.57 (17) | P—N8—C17—C16 | −174.14 (15) |
N4—Ru—N6—C7 | −135.46 (17) | N8—P—N9—C21 | 179.13 (14) |
P—Ru—N6—C7 | 47.54 (17) | N7—P—N9—C21 | 79.79 (15) |
Cl—Ru—N6—C7 | −49.99 (17) | Ru—P—N9—C21 | −47.04 (16) |
N2—Ru—N6—N5 | −37.23 (11) | N8—P—N9—C18 | 11.59 (17) |
N4—Ru—N6—N5 | 47.74 (11) | N7—P—N9—C18 | −87.75 (17) |
P—Ru—N6—N5 | −129.26 (11) | Ru—P—N9—C18 | 145.42 (14) |
Cl—Ru—N6—N5 | 133.21 (11) | C21—N9—C18—C19 | 0.3 (2) |
N5—N6—C7—C8 | 0.9 (2) | P—N9—C18—C19 | 169.54 (16) |
Ru—N6—C7—C8 | −176.16 (14) | N9—C18—C19—C20 | 0.2 (3) |
N6—C7—C8—C9 | −0.4 (2) | C18—C19—C20—C21 | −0.7 (3) |
N6—N5—C9—C8 | 0.8 (2) | C19—C20—C21—N9 | 0.9 (2) |
B—N5—C9—C8 | −176.52 (18) | C18—N9—C21—C20 | −0.8 (2) |
C7—C8—C9—N5 | −0.2 (2) | P—N9—C21—C20 | −170.40 (14) |
C3—N1—B—N5 | 126.27 (17) | N2—Ru—O—C22 | −165.96 (15) |
N2—N1—B—N5 | −58.83 (18) | N4—Ru—O—C22 | 108.80 (15) |
C3—N1—B—N3 | −117.59 (18) | P—Ru—O—C22 | −74.43 (14) |
N2—N1—B—N3 | 57.30 (18) | Cl—Ru—O—C22 | 22.99 (14) |
C9—N5—B—N1 | −122.24 (19) | Ru—O—C22—N10 | −176.64 (13) |
N6—N5—B—N1 | 60.75 (19) | O—C22—N10—C23 | 0.1 (3) |
C9—N5—B—N3 | 121.40 (19) | O—C22—N10—C24 | −176.5 (2) |