The title compound, [Ru(C9H10BN6)Cl(C3H7NO)(C12H12N3P)], has the Ru atom in octahedral coordination. The Ru—P bond length of 2.2022 (5) Å is some 0.107 Å shorter than that in the corresponding triphenylphosphine complex; this difference is attributable to the electronic donor–acceptor properties of the phosphine ligand.
Supporting information
CCDC reference: 610791
Key indicators
- Single-crystal X-ray study
- T = 298 K
- Mean (C-C) = 0.003 Å
- R factor = 0.025
- wR factor = 0.058
- Data-to-parameter ratio = 23.3
checkCIF/PLATON results
No syntax errors found
Alert level C
PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.17 Ratio
| Author Response: Coordinated dimethylformamide is librating with the
terminal atoms and causes this problem.
|
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Ru - Cl .. 9.58 su
| Author Response: Outer atoms moving about the metal centre, room temperature
measurement.
|
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Ru - O .. 6.57 su
| Author Response: Outer atoms moving about the metal centre, room temperature
measurement.
|
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Ru - N2 .. 5.24 su
| Author Response: Outer atoms moving about the metal centre, room temperature
measurement.
|
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Ru - N4 .. 6.68 su
| Author Response: Outer atoms moving about the metal centre, room temperature
measurement.
|
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N10
| Author Response: Terminal methyl C atoms are librating and causing this
problem, see previous alerts.
|
0 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
6 ALERT level C = Check and explain
0 ALERT level G = General alerts; check
0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
5 ALERT type 2 Indicator that the structure model may be wrong or deficient
1 ALERT type 3 Indicator that the structure quality may be low
0 ALERT type 4 Improvement, methodology, query or suggestion
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.
Chloro(dimethylformamide-
κO)(hydridotripyrazolylborato)(tripyrrol-1-
ylphosphine-
κP)ruthenium(II)
top
Crystal data top
[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 | |
Data collection top
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 top
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) |
Special details top
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. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | 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* | |
Atomic displacement parameters (Å2) top | 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) |
Geometric parameters (Å, º) top
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) |