(Benzophenone imine-κN)-chlorido(hydrido-tripyrazolyl-borato)-(triphenyl-phosphine)ruthenium(II) diethyl ether solvate.

The reaction of RuCl(Tp)(Ph(3)P)(2), where Tp is [(CH)(3)N(2)](3)BH, with benzophenone imine leads to the formation of the title compound, [Ru(C(9)H(10)BN(6))Cl(C(13)H(11)N)(C(18)H(15)P)]·C(4)H(10)O. The environment about the Ru atom corresponds to a slightly distorted octa-hedron and the bite angle of the Tp ligand produces an average N-Ru-N angle of 86.3 (9)°. The three Ru-N(Tp) bond lengths [2.117 (2), 2.079 (2) and 2.084 (2) Å] are slightly longer than the average distance (2.038 Å) in other ruthenium-Tp complexes.

Related literature

For background literature, see: Albertin et al. (2008 ▶); Burrows (2001 ▶); Harman & Tube (1988 ▶); Pavlik et al. (2005 ▶). For related structures, see: Alock et al. (1992 ▶); Bohanna et al. (1996 ▶); Gemel et al. (1996 ▶); Slugovc et al. (1998 ▶).

Experimental

Crystal data

[Ru(C9H10BN6)Cl(C13H11N)(C18H15P)]·C4H10O

M = 867.18

Monoclinic,

a = 9.3768 (1) Å

b = 30.1803 (5) Å

c = 14.9092 (2) Å

β = 96.126 (1)°

V = 4195.13 (10) Å3

Z = 4

Mo Kα radiation

μ = 0.52 mm−1

T = 295 (2) K

0.20 × 0.15 × 0.10 mm

Data collection

Nonius KappaCCD diffractometer

Absorption correction: multi-scan (SORTAV; Blessing, 1995 ▶) T min = 0.915, T max = 0.952

28699 measured reflections

9587 independent reflections

7313 reflections with I > 2σ(I)

R int = 0.037

Refinement

R[F 2 > 2σ(F 2)] = 0.038

wR(F 2) = 0.105

S = 1.02

9587 reflections

505 parameters

H-atom parameters constrained

Δρmax = 1.60 e Å−3

Δρmin = −0.46 e Å−3

Data collection: COLLECT (Nonius, 1999 ▶); cell refinement: DENZO (Otwinowski & Minor, 1997 ▶) and SCALEPACK (Otwinowski & Minor, 1997 ▶); data reduction: DENZO and SCALEPACK; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536808033722/rk2110sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808033722/rk2110Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

[Ru(C9H10BN6)Cl(C13H11N)(C18H15P)]·C4H10O	F(000) = 1792
Mr = 867.18	Dx = 1.373 Mg m−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 61738 reflections
a = 9.3768 (1) Å	θ = 1–27.5°
b = 30.1803 (5) Å	µ = 0.52 mm−1
c = 14.9092 (2) Å	T = 295 K
β = 96.126 (1)°	Plate, yellow
V = 4195.13 (10) Å3	0.20 × 0.15 × 0.10 mm
Z = 4

Nonius KappaCCD diffractometer	9587 independent reflections
Radiation source: fine-focus sealed tube	7313 reflections with I > 2σ(I)
graphite	Rint = 0.037
φ and ω scans	θmax = 27.5°, θmin = 1.5°
Absorption correction: multi-scan (SORTAV; Blessing, 1995)	h = −12→12
Tmin = 0.915, Tmax = 0.952	k = −38→39
28699 measured reflections	l = −18→19

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)] = 0.038	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.105	H-atom parameters constrained
S = 1.02	w = 1/[σ2(Fo2) + (0.0492P)2 + 2.3324P] where P = (Fo2 + 2Fc2)/3
9587 reflections	(Δ/σ)max < 0.001
505 parameters	Δρmax = 1.60 e Å−3
0 restraints	Δρmin = −0.46 e Å−3

Geometry. All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell s.u.'s is used for estimating s.u.'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	0.29312 (2)	0.099417 (7)	0.750725 (14)	0.03648 (7)
Cl1	0.44869 (8)	0.14260 (3)	0.66246 (5)	0.05512 (19)
P1	0.22862 (8)	0.15893 (2)	0.83575 (5)	0.04520 (17)
N1	0.3739 (2)	0.00419 (7)	0.72037 (16)	0.0441 (5)
N2	0.3456 (2)	0.04306 (8)	0.67632 (14)	0.0419 (5)
N3	0.2246 (2)	0.01635 (7)	0.84529 (15)	0.0418 (5)
N4	0.1670 (2)	0.05607 (7)	0.81661 (14)	0.0378 (5)
N5	0.4838 (2)	0.03736 (7)	0.86467 (15)	0.0423 (5)
N6	0.4675 (2)	0.08098 (7)	0.84144 (15)	0.0409 (5)
N7	0.1440 (2)	0.11552 (8)	0.64377 (15)	0.0450 (5)
H7A	0.1717	0.1399	0.6215	0.054*
B1	0.3757 (3)	0.00265 (10)	0.8237 (2)	0.0450 (7)
H1	0.4047	−0.0306	0.8498	0.054*
C1	0.3922 (3)	−0.02816 (11)	0.6606 (2)	0.0563 (8)
H1A	0.4122	−0.0577	0.6745	0.068*
C2	0.3764 (3)	−0.01009 (12)	0.5761 (2)	0.0620 (9)
H2A	0.3831	−0.0246	0.5217	0.074*
C3	0.3483 (3)	0.03437 (12)	0.5884 (2)	0.0535 (7)
H3A	0.3334	0.0552	0.5424	0.064*
C4	0.1277 (3)	−0.00731 (10)	0.88551 (19)	0.0498 (7)
H4A	0.1419	−0.0354	0.9106	0.060*
C5	0.0039 (3)	0.01730 (10)	0.8830 (2)	0.0513 (7)
H5A	−0.0812	0.0094	0.9057	0.062*
C6	0.0332 (3)	0.05626 (10)	0.83963 (18)	0.0439 (6)
H6A	−0.0315	0.0794	0.8281	0.053*
C7	0.6081 (3)	0.03204 (11)	0.9177 (2)	0.0525 (7)
H7B	0.6429	0.0055	0.9429	0.063*
C8	0.6744 (3)	0.07213 (11)	0.9282 (2)	0.0573 (8)
H8A	0.7621	0.0783	0.9610	0.069*
C9	0.5838 (3)	0.10188 (10)	0.8796 (2)	0.0506 (7)
H9A	0.6015	0.1320	0.8744	0.061*
C10	0.0270 (3)	0.10422 (9)	0.59664 (18)	0.0432 (6)
C11	−0.0235 (3)	0.12837 (10)	0.51180 (19)	0.0482 (7)
C12	0.0215 (4)	0.17094 (12)	0.4950 (2)	0.0665 (9)
H12A	0.0822	0.1856	0.5386	0.080*
C13	−0.0224 (5)	0.19198 (14)	0.4145 (3)	0.0849 (12)
H13A	0.0098	0.2205	0.4039	0.102*
C14	−0.1128 (5)	0.17104 (17)	0.3507 (3)	0.0962 (14)
H14A	−0.1437	0.1854	0.2970	0.115*
C15	−0.1579 (5)	0.12930 (18)	0.3653 (3)	0.1075 (18)
H15A	−0.2178	0.1149	0.3208	0.129*
C16	−0.1153 (4)	0.10794 (14)	0.4459 (2)	0.0787 (12)
H16A	−0.1490	0.0796	0.4558	0.094*
C17	−0.0629 (3)	0.06701 (10)	0.62470 (17)	0.0429 (6)
C18	−0.2001 (3)	0.07601 (11)	0.6479 (2)	0.0524 (7)
H18A	−0.2359	0.1047	0.6430	0.063*
C19	−0.2831 (3)	0.04240 (13)	0.6781 (2)	0.0605 (8)
H19A	−0.3731	0.0488	0.6957	0.073*
C20	−0.2333 (4)	−0.00019 (13)	0.6822 (2)	0.0670 (9)
H20A	−0.2892	−0.0227	0.7027	0.080*
C21	−0.0998 (4)	−0.00975 (12)	0.6560 (2)	0.0638 (8)
H21A	−0.0674	−0.0389	0.6571	0.077*
C22	−0.0140 (3)	0.02370 (10)	0.6281 (2)	0.0515 (7)
H22A	0.0766	0.0171	0.6117	0.062*
C23	0.1486 (3)	0.14282 (11)	0.9387 (2)	0.0568 (8)
C24	0.2256 (4)	0.11179 (12)	0.9944 (2)	0.0674 (9)
H24A	0.3107	0.1003	0.9773	0.081*
C25	0.1776 (6)	0.09801 (14)	1.0740 (3)	0.0893 (14)
H25A	0.2316	0.0781	1.1110	0.107*
C26	0.0504 (7)	0.11364 (18)	1.0985 (3)	0.1055 (19)
H26A	0.0169	0.1039	1.1516	0.127*
C27	−0.0279 (5)	0.14388 (18)	1.0444 (3)	0.0978 (16)
H27A	−0.1145	0.1543	1.0612	0.117*
C28	0.0211 (4)	0.15916 (13)	0.9643 (3)	0.0746 (10)
H28A	−0.0315	0.1800	0.9288	0.090*
C29	0.3590 (3)	0.20070 (10)	0.8864 (2)	0.0547 (7)
C30	0.3323 (4)	0.22422 (11)	0.9633 (2)	0.0710 (9)
H30A	0.2491	0.2187	0.9902	0.085*
C31	0.4288 (6)	0.25585 (13)	1.0002 (3)	0.0899 (13)
H31A	0.4091	0.2715	1.0511	0.108*
C32	0.5529 (6)	0.26417 (14)	0.9621 (3)	0.0970 (14)
H32A	0.6186	0.2848	0.9880	0.116*
C33	0.5794 (4)	0.24191 (13)	0.8856 (3)	0.0882 (13)
H33A	0.6627	0.2478	0.8590	0.106*
C34	0.4823 (4)	0.21035 (11)	0.8474 (3)	0.0691 (9)
H34A	0.5009	0.1957	0.7950	0.083*
C35	0.0942 (3)	0.19466 (10)	0.7724 (2)	0.0546 (7)
C36	0.1355 (4)	0.23402 (11)	0.7351 (2)	0.0665 (9)
H36A	0.2295	0.2440	0.7475	0.080*
C37	0.0374 (5)	0.25872 (13)	0.6794 (3)	0.0859 (12)
H37A	0.0662	0.2850	0.6543	0.103*
C38	−0.1033 (5)	0.24445 (14)	0.6609 (3)	0.0886 (13)
H38A	−0.1688	0.2613	0.6241	0.106*
C39	−0.1453 (4)	0.20575 (14)	0.6968 (3)	0.0815 (12)
H39A	−0.2397	0.1962	0.6849	0.098*
C40	−0.0466 (4)	0.18051 (12)	0.7515 (2)	0.0677 (9)
H40A	−0.0753	0.1537	0.7743	0.081*
O1	0.4596 (3)	0.13805 (11)	0.2598 (2)	0.0970 (9)
C44	0.5827 (5)	0.1501 (2)	0.1320 (3)	0.128 (2)
H44A	0.5909	0.1700	0.0826	0.192*
H44B	0.5551	0.1213	0.1090	0.192*
H44C	0.6734	0.1481	0.1684	0.192*
C42	0.3529 (6)	0.15112 (18)	0.3139 (3)	0.1105 (16)
H42A	0.2593	0.1484	0.2799	0.133*
H42B	0.3671	0.1819	0.3313	0.133*
C43	0.4733 (6)	0.16682 (17)	0.1874 (3)	0.1003 (14)
H43A	0.5005	0.1961	0.2102	0.120*
H43B	0.3819	0.1693	0.1506	0.120*
C41	0.3591 (7)	0.12344 (18)	0.3947 (4)	0.136 (2)
H41A	0.2859	0.1326	0.4311	0.204*
H41B	0.4514	0.1265	0.4287	0.204*
H41C	0.3438	0.0930	0.3775	0.204*

	U11	U22	U33	U12	U13	U23
Ru1	0.03305 (11)	0.03839 (12)	0.03758 (12)	−0.00223 (8)	0.00183 (8)	0.00409 (9)
Cl1	0.0477 (4)	0.0613 (4)	0.0563 (4)	−0.0130 (3)	0.0054 (3)	0.0137 (4)
P1	0.0461 (4)	0.0396 (4)	0.0488 (4)	0.0000 (3)	−0.0001 (3)	−0.0003 (3)
N1	0.0406 (11)	0.0418 (12)	0.0508 (13)	−0.0015 (9)	0.0092 (10)	−0.0054 (10)
N2	0.0369 (11)	0.0504 (13)	0.0390 (12)	−0.0029 (9)	0.0063 (9)	0.0000 (10)
N3	0.0404 (11)	0.0404 (12)	0.0448 (12)	−0.0011 (9)	0.0044 (9)	0.0060 (10)
N4	0.0360 (11)	0.0412 (12)	0.0363 (11)	−0.0017 (9)	0.0043 (9)	0.0005 (9)
N5	0.0386 (11)	0.0438 (12)	0.0439 (12)	0.0035 (9)	0.0016 (9)	0.0038 (10)
N6	0.0372 (11)	0.0418 (12)	0.0427 (12)	0.0007 (9)	0.0005 (9)	0.0019 (10)
N7	0.0414 (12)	0.0460 (12)	0.0465 (13)	−0.0009 (10)	0.0001 (10)	0.0072 (11)
B1	0.0433 (16)	0.0391 (16)	0.0526 (19)	0.0013 (13)	0.0052 (14)	0.0029 (14)
C1	0.0502 (16)	0.0511 (17)	0.069 (2)	−0.0068 (13)	0.0149 (15)	−0.0159 (16)
C2	0.0540 (18)	0.078 (2)	0.057 (2)	−0.0110 (16)	0.0188 (15)	−0.0245 (18)
C3	0.0421 (15)	0.076 (2)	0.0433 (16)	−0.0072 (14)	0.0098 (12)	−0.0031 (15)
C4	0.0509 (16)	0.0510 (16)	0.0479 (16)	−0.0085 (13)	0.0077 (13)	0.0127 (13)
C5	0.0429 (15)	0.0633 (19)	0.0490 (16)	−0.0072 (13)	0.0113 (12)	0.0066 (14)
C6	0.0356 (13)	0.0535 (16)	0.0429 (15)	−0.0007 (12)	0.0064 (11)	−0.0003 (13)
C7	0.0430 (15)	0.0604 (19)	0.0519 (17)	0.0084 (13)	−0.0049 (12)	0.0095 (14)
C8	0.0436 (15)	0.066 (2)	0.0584 (19)	−0.0009 (14)	−0.0125 (13)	0.0009 (16)
C9	0.0435 (15)	0.0518 (17)	0.0544 (17)	−0.0049 (12)	−0.0051 (13)	−0.0031 (14)
C10	0.0361 (13)	0.0507 (16)	0.0426 (15)	0.0009 (11)	0.0029 (11)	−0.0010 (12)
C11	0.0421 (14)	0.0578 (18)	0.0438 (16)	−0.0002 (13)	−0.0001 (12)	0.0047 (13)
C12	0.077 (2)	0.060 (2)	0.059 (2)	−0.0028 (17)	−0.0089 (17)	0.0092 (16)
C13	0.109 (3)	0.066 (2)	0.076 (3)	−0.006 (2)	−0.005 (2)	0.027 (2)
C14	0.101 (3)	0.112 (4)	0.069 (3)	−0.015 (3)	−0.023 (2)	0.040 (3)
C15	0.111 (3)	0.130 (4)	0.070 (3)	−0.048 (3)	−0.040 (2)	0.038 (3)
C16	0.082 (2)	0.087 (3)	0.061 (2)	−0.030 (2)	−0.0195 (19)	0.0201 (19)
C17	0.0364 (13)	0.0546 (16)	0.0371 (14)	−0.0053 (11)	0.0009 (10)	0.0007 (12)
C18	0.0389 (14)	0.0646 (19)	0.0532 (17)	0.0003 (13)	0.0030 (12)	−0.0012 (15)
C19	0.0405 (15)	0.086 (3)	0.0557 (19)	−0.0097 (16)	0.0075 (13)	−0.0034 (17)
C20	0.0551 (19)	0.079 (2)	0.067 (2)	−0.0256 (17)	0.0054 (16)	0.0059 (18)
C21	0.0590 (19)	0.0575 (19)	0.074 (2)	−0.0086 (15)	0.0038 (16)	0.0031 (17)
C22	0.0406 (14)	0.0577 (18)	0.0564 (18)	−0.0026 (13)	0.0055 (13)	−0.0014 (14)
C23	0.0644 (19)	0.0540 (18)	0.0530 (18)	−0.0114 (15)	0.0114 (15)	−0.0116 (15)
C24	0.095 (3)	0.060 (2)	0.0480 (18)	−0.0119 (18)	0.0096 (17)	−0.0069 (16)
C25	0.139 (4)	0.080 (3)	0.051 (2)	−0.026 (3)	0.020 (2)	−0.0063 (19)
C26	0.157 (5)	0.098 (4)	0.068 (3)	−0.066 (4)	0.045 (3)	−0.023 (3)
C27	0.102 (3)	0.104 (4)	0.097 (3)	−0.046 (3)	0.052 (3)	−0.054 (3)
C28	0.077 (2)	0.071 (2)	0.079 (2)	−0.0156 (19)	0.0226 (19)	−0.027 (2)
C29	0.0590 (18)	0.0418 (15)	0.0600 (19)	−0.0033 (13)	−0.0083 (14)	0.0013 (14)
C30	0.089 (2)	0.055 (2)	0.066 (2)	−0.0126 (18)	−0.0081 (18)	−0.0034 (17)
C31	0.125 (4)	0.065 (2)	0.074 (3)	−0.014 (2)	−0.017 (3)	−0.016 (2)
C32	0.109 (3)	0.065 (3)	0.108 (4)	−0.030 (2)	−0.033 (3)	−0.005 (3)
C33	0.078 (3)	0.061 (2)	0.122 (4)	−0.0238 (19)	−0.006 (2)	−0.002 (2)
C34	0.068 (2)	0.0486 (18)	0.088 (3)	−0.0090 (16)	−0.0022 (18)	−0.0045 (17)
C35	0.0554 (17)	0.0479 (17)	0.0583 (18)	0.0112 (13)	−0.0046 (14)	−0.0091 (14)
C36	0.077 (2)	0.0504 (18)	0.070 (2)	0.0082 (16)	−0.0056 (17)	0.0031 (16)
C37	0.112 (3)	0.057 (2)	0.083 (3)	0.017 (2)	−0.014 (2)	0.007 (2)
C38	0.097 (3)	0.072 (3)	0.090 (3)	0.035 (2)	−0.024 (2)	−0.007 (2)
C39	0.063 (2)	0.080 (3)	0.096 (3)	0.0233 (19)	−0.018 (2)	−0.018 (2)
C40	0.061 (2)	0.056 (2)	0.082 (2)	0.0105 (16)	−0.0078 (17)	−0.0080 (18)
O1	0.105 (2)	0.110 (2)	0.0786 (19)	0.0160 (18)	0.0204 (16)	0.0066 (18)
C44	0.099 (4)	0.197 (6)	0.090 (3)	0.006 (4)	0.019 (3)	0.020 (4)
C42	0.131 (4)	0.104 (4)	0.098 (4)	0.019 (3)	0.020 (3)	−0.021 (3)
C43	0.113 (4)	0.105 (4)	0.081 (3)	−0.007 (3)	0.002 (3)	−0.003 (3)
C41	0.210 (7)	0.095 (4)	0.115 (4)	0.027 (4)	0.075 (4)	0.007 (3)

Ru1—N7	2.063 (2)	C18—H18A	0.9300
Ru1—N4	2.079 (2)	C19—C20	1.367 (5)
Ru1—N6	2.084 (2)	C19—H19A	0.9300
Ru1—N2	2.117 (2)	C20—C21	1.381 (5)
Ru1—P1	2.3158 (8)	C20—H20A	0.9300
Ru1—Cl1	2.4429 (7)	C21—C22	1.382 (4)
Ru1—B1	3.183 (3)	C21—H21A	0.9300
P1—C35	1.841 (3)	C22—H22A	0.9300
P1—C23	1.844 (3)	C23—C28	1.384 (5)
P1—C29	1.859 (3)	C23—C24	1.400 (5)
N1—C1	1.345 (4)	C24—C25	1.378 (5)
N1—N2	1.357 (3)	C24—H24A	0.9300
N1—B1	1.539 (4)	C25—C26	1.368 (7)
N2—C3	1.340 (3)	C25—H25A	0.9300
N3—C4	1.346 (3)	C26—C27	1.377 (7)
N3—N4	1.365 (3)	C26—H26A	0.9300
N3—B1	1.542 (4)	C27—C28	1.403 (6)
N4—C6	1.335 (3)	C27—H27A	0.9300
N5—C7	1.346 (3)	C28—H28A	0.9300
N5—N6	1.366 (3)	C29—C34	1.379 (5)
N5—B1	1.538 (4)	C29—C30	1.393 (5)
N6—C9	1.333 (3)	C30—C31	1.388 (5)
N7—C10	1.284 (3)	C30—H30A	0.9300
N7—H7A	0.8600	C31—C32	1.372 (6)
B1—H1	1.1000	C31—H31A	0.9300
C1—C2	1.367 (5)	C32—C33	1.368 (6)
C1—H1A	0.9300	C32—H32A	0.9300
C2—C3	1.384 (5)	C33—C34	1.397 (5)
C2—H2A	0.9300	C33—H33A	0.9300
C3—H3A	0.9300	C34—H34A	0.9300
C4—C5	1.375 (4)	C35—C36	1.384 (5)
C4—H4A	0.9300	C35—C40	1.390 (4)
C5—C6	1.384 (4)	C36—C37	1.390 (5)
C5—H5A	0.9300	C36—H36A	0.9300
C6—H6A	0.9300	C37—C38	1.387 (6)
C7—C8	1.362 (4)	C37—H37A	0.9300
C7—H7B	0.9300	C38—C39	1.360 (6)
C8—C9	1.386 (4)	C38—H38A	0.9300
C8—H8A	0.9300	C39—C40	1.393 (5)
C9—H9A	0.9300	C39—H39A	0.9300
C10—C17	1.491 (4)	C40—H40A	0.9300
C10—C11	1.493 (4)	O1—C43	1.403 (5)
C11—C16	1.380 (4)	O1—C42	1.406 (5)
C11—C12	1.383 (4)	C44—C43	1.472 (6)
C12—C13	1.381 (5)	C44—H44A	0.9600
C12—H12A	0.9300	C44—H44B	0.9600
C13—C14	1.360 (6)	C44—H44C	0.9600
C13—H13A	0.9300	C42—C41	1.462 (7)
C14—C15	1.354 (6)	C42—H42A	0.9700
C14—H14A	0.9300	C42—H42B	0.9700
C15—C16	1.385 (5)	C43—H43A	0.9700
C15—H15A	0.9300	C43—H43B	0.9700
C16—H16A	0.9300	C41—H41A	0.9600
C17—C22	1.384 (4)	C41—H41B	0.9600
C17—C18	1.394 (4)	C41—H41C	0.9600
C18—C19	1.383 (4)
N7—Ru1—N4	98.08 (8)	C16—C15—H15A	119.8
N7—Ru1—N6	169.96 (9)	C11—C16—C15	120.6 (4)
N4—Ru1—N6	88.39 (8)	C11—C16—H16A	119.7
N7—Ru1—N2	87.74 (9)	C15—C16—H16A	119.7
N4—Ru1—N2	85.29 (8)	C22—C17—C18	119.0 (3)
N6—Ru1—N2	85.14 (8)	C22—C17—C10	121.8 (2)
N7—Ru1—P1	92.60 (7)	C18—C17—C10	119.2 (3)
N4—Ru1—P1	91.98 (6)	C19—C18—C17	120.3 (3)
N6—Ru1—P1	94.85 (6)	C19—C18—H18A	119.9
N2—Ru1—P1	177.26 (6)	C17—C18—H18A	119.9
N7—Ru1—Cl1	81.51 (6)	C20—C19—C18	120.2 (3)
N4—Ru1—Cl1	173.03 (6)	C20—C19—H19A	119.9
N6—Ru1—Cl1	91.13 (6)	C18—C19—H19A	119.9
N2—Ru1—Cl1	87.75 (6)	C19—C20—C21	120.0 (3)
P1—Ru1—Cl1	94.99 (3)	C19—C20—H20A	120.0
N7—Ru1—B1	126.89 (9)	C21—C20—H20A	120.0
N4—Ru1—B1	52.49 (8)	C20—C21—C22	120.4 (3)
N6—Ru1—B1	52.24 (8)	C20—C21—H21A	119.8
N2—Ru1—B1	51.71 (8)	C22—C21—H21A	119.8
P1—Ru1—B1	126.35 (6)	C21—C22—C17	120.0 (3)
Cl1—Ru1—B1	122.41 (6)	C21—C22—H22A	120.0
C35—P1—C23	105.29 (15)	C17—C22—H22A	120.0
C35—P1—C29	101.29 (14)	C28—C23—C24	118.7 (3)
C23—P1—C29	98.59 (14)	C28—C23—P1	125.2 (3)
C35—P1—Ru1	112.22 (10)	C24—C23—P1	116.1 (3)
C23—P1—Ru1	113.85 (10)	C25—C24—C23	121.2 (4)
C29—P1—Ru1	123.32 (11)	C25—C24—H24A	119.4
C1—N1—N2	109.8 (2)	C23—C24—H24A	119.4
C1—N1—B1	130.7 (3)	C26—C25—C24	120.0 (5)
N2—N1—B1	119.4 (2)	C26—C25—H25A	120.0
C3—N2—N1	106.3 (2)	C24—C25—H25A	120.0
C3—N2—Ru1	134.4 (2)	C25—C26—C27	119.9 (4)
N1—N2—Ru1	119.04 (16)	C25—C26—H26A	120.1
C4—N3—N4	110.0 (2)	C27—C26—H26A	120.1
C4—N3—B1	129.0 (2)	C26—C27—C28	120.9 (4)
N4—N3—B1	120.8 (2)	C26—C27—H27A	119.5
C6—N4—N3	105.9 (2)	C28—C27—H27A	119.5
C6—N4—Ru1	135.73 (19)	C23—C28—C27	119.3 (4)
N3—N4—Ru1	118.33 (15)	C23—C28—H28A	120.4
C7—N5—N6	109.3 (2)	C27—C28—H28A	120.4
C7—N5—B1	130.1 (2)	C34—C29—C30	118.1 (3)
N6—N5—B1	120.3 (2)	C34—C29—P1	121.1 (3)
C9—N6—N5	106.5 (2)	C30—C29—P1	120.8 (3)
C9—N6—Ru1	134.4 (2)	C31—C30—C29	120.7 (4)
N5—N6—Ru1	118.73 (16)	C31—C30—H30A	119.7
C10—N7—Ru1	146.0 (2)	C29—C30—H30A	119.7
C10—N7—H7A	107.0	C32—C31—C30	120.5 (4)
Ru1—N7—H7A	107.0	C32—C31—H31A	119.8
N5—B1—N1	108.3 (2)	C30—C31—H31A	119.8
N5—B1—N3	108.4 (2)	C33—C32—C31	119.5 (4)
N1—B1—N3	106.8 (2)	C33—C32—H32A	120.2
N5—B1—Ru1	68.71 (14)	C31—C32—H32A	120.2
N1—B1—Ru1	69.76 (14)	C32—C33—C34	120.4 (4)
N3—B1—Ru1	68.29 (14)	C32—C33—H33A	119.8
N5—B1—H1	110.7	C34—C33—H33A	119.8
N1—B1—H1	111.0	C29—C34—C33	120.7 (4)
N3—B1—H1	111.6	C29—C34—H34A	119.6
Ru1—B1—H1	179.2	C33—C34—H34A	119.6
N1—C1—C2	108.2 (3)	C36—C35—C40	118.2 (3)
N1—C1—H1A	125.9	C36—C35—P1	120.2 (2)
C2—C1—H1A	125.9	C40—C35—P1	121.1 (3)
C1—C2—C3	105.5 (3)	C35—C36—C37	120.3 (4)
C1—C2—H2A	127.2	C35—C36—H36A	119.9
C3—C2—H2A	127.2	C37—C36—H36A	119.9
N2—C3—C2	110.1 (3)	C38—C37—C36	120.5 (4)
N2—C3—H3A	125.0	C38—C37—H37A	119.8
C2—C3—H3A	125.0	C36—C37—H37A	119.8
N3—C4—C5	108.0 (3)	C39—C38—C37	119.8 (4)
N3—C4—H4A	126.0	C39—C38—H38A	120.1
C5—C4—H4A	126.0	C37—C38—H38A	120.1
C4—C5—C6	105.2 (2)	C38—C39—C40	119.9 (4)
C4—C5—H5A	127.4	C38—C39—H39A	120.1
C6—C5—H5A	127.4	C40—C39—H39A	120.1
N4—C6—C5	110.8 (2)	C35—C40—C39	121.3 (4)
N4—C6—H6A	124.6	C35—C40—H40A	119.4
C5—C6—H6A	124.6	C39—C40—H40A	119.4
N5—C7—C8	108.5 (3)	C43—O1—C42	113.4 (4)
N5—C7—H7B	125.7	C43—C44—H44A	109.5
C8—C7—H7B	125.7	C43—C44—H44B	109.5
C7—C8—C9	105.6 (3)	H44A—C44—H44B	109.5
C7—C8—H8A	127.2	C43—C44—H44C	109.5
C9—C8—H8A	127.2	H44A—C44—H44C	109.5
N6—C9—C8	110.1 (3)	H44B—C44—H44C	109.5
N6—C9—H9A	124.9	O1—C42—C41	110.2 (4)
C8—C9—H9A	124.9	O1—C42—H42A	109.6
N7—C10—C17	121.5 (2)	C41—C42—H42A	109.6
N7—C10—C11	120.6 (2)	O1—C42—H42B	109.6
C17—C10—C11	117.9 (2)	C41—C42—H42B	109.6
C16—C11—C12	117.7 (3)	H42A—C42—H42B	108.1
C16—C11—C10	120.1 (3)	O1—C43—C44	110.3 (4)
C12—C11—C10	122.1 (3)	O1—C43—H43A	109.6
C13—C12—C11	121.1 (3)	C44—C43—H43A	109.6
C13—C12—H12A	119.5	O1—C43—H43B	109.6
C11—C12—H12A	119.5	C44—C43—H43B	109.6
C14—C13—C12	120.0 (4)	H43A—C43—H43B	108.1
C14—C13—H13A	120.0	C42—C41—H41A	109.5
C12—C13—H13A	120.0	C42—C41—H41B	109.5
C15—C14—C13	120.2 (4)	H41A—C41—H41B	109.5
C15—C14—H14A	119.9	C42—C41—H41C	109.5
C13—C14—H14A	119.9	H41A—C41—H41C	109.5
C14—C15—C16	120.4 (4)	H41B—C41—H41C	109.5
C14—C15—H15A	119.8