Azido-(1,1-diphenyl-methanimine-κN)[hydridotris(pyrazolyl-κN)borato](triphenyl-phosphine-κP)ruthenium(II) diethyl ether solvate.

The reaction of [RuCl(C(9)H(10)BN(6))(C(18)H(15)P)(2)] with benzo-phenone imine in methanol, in the presence of sodium azide, leads to the formation of the title compound, [Ru(C(9)H(10)BN(6))(N(3))(HN=CPh(2))(C(18)H(15)P)]·C(4)H(10)O, which crystallizes as the diethyl ether solvate. In the crystal structure, the Ru atom is coordinated by three N atoms of one hydridotris(pyrazoly)borate anion, one P atom of one triphenyl-phosphine ligand, one N atom of the azide anion and one N atom of the benzophenone-imine ligand in a slightly distorted octa-hedral geometry. The azide anion is almost linear [177.0 (5)°], with an Ru-N-N angle of 125.9 (3)°. There is a small difference between the N-N distances [1.200 (5) and 1.164 (5) Å], the longer bond being adjacent to the Ru atom.

Related literature

For general background, see: Agrell (1971 ▶); Alcock et al. (1992 ▶); Burrows et al. (2001 ▶); Moloy & Petersen (1995 ▶); Pavlik et al. (2005 ▶); Slugovc et al. (1997 ▶); Trofimenko et al. (1993 ▶). For related structures, see: Dori & Ziolo (1973 ▶); Gemel et al. (1996 ▶); Meyer et al. (1998 ▶); Huynh et al. (2003 ▶); Slugovc et al. (1998 ▶).

Experimental

Crystal data

[Ru(C9H10BN6)(N3)(C13H11N)(C18H15P)]·C4H10O

M = 873.76

Triclinic,

a = 11.7387 (12) Å

b = 13.0535 (13) Å

c = 14.7187 (15) Å

α = 70.445 (2)°

β = 81.716 (2)°

γ = 88.040 (3)°

V = 2102.9 (4) Å3

Z = 2

Mo Kα radiation

μ = 0.46 mm−1

T = 200 (2) K

0.19 × 0.07 × 0.02 mm

Data collection

Nonius KappaCCD diffractometer

Absorption correction: multi-scan (Blessing, 1995 ▶) T min = 0.918, T max = 0.989

16858 measured reflections

7382 independent reflections

4895 reflections with I > 2σ(I)

R int = 0.061

Refinement

R[F 2 > 2σ(F 2)] = 0.050

wR(F 2) = 0.113

S = 1.01

7382 reflections

523 parameters

H-atom parameters constrained

Δρmax = 1.75 e Å−3

Δρmin = −0.56 e Å−3

Data collection: COLLECT (Nonius, 1999 ▶); cell refinement: HKL DENZO and SCALEPACK (Otwinowski & Minor 1997 ▶); data reduction: HKL DENZO and SCALEPACK; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997 ▶); software used to prepare material for publication: WinGX publication routines (Farrugia, 1999 ▶).

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536808036039/nc2120sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808036039/nc2120Isup2.hkl

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

[Ru(C9H10BN6)(N3)(C13H11N)(C18H15P)]·C4H10O	Z = 2
Mr = 873.76	F000 = 904
Triclinic, P1	Dx = 1.380 Mg m−3
Hall symbol: -P 1	Mo Kα radiation λ = 0.71073 Å
a = 11.7387 (12) Å	Cell parameters from 16922 reflections
b = 13.0535 (13) Å	θ = 2.4–22.8º
c = 14.7187 (15) Å	µ = 0.46 mm−1
α = 70.445 (2)º	T = 200 (2) K
β = 81.716 (2)º	Prism, red
γ = 88.040 (3)º	0.19 × 0.07 × 0.02 mm
V = 2102.9 (4) Å3

Nonius KappaCCD diffractometer	7382 independent reflections
Radiation source: fine-focus sealed tube	4895 reflections with I > 2σ(I)
Monochromator: graphite	Rint = 0.061
T = 200(2) K	θmax = 25.0º
CCD rotation images, thick slices scans	θmin = 1.5º
Absorption correction: multi-scan(Blessing, 1995)	h = −10→13
Tmin = 0.918, Tmax = 0.989	k = −13→15
16858 measured reflections	l = −16→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)] = 0.050	H-atom parameters constrained
wR(F2) = 0.113	w = 1/[σ2(Fo2) + (0.0454P)2] where P = (Fo2 + 2Fc2)/3
S = 1.01	(Δ/σ)max = 0.001
7382 reflections	Δρmax = 1.75 e Å−3
523 parameters	Δρmin = −0.56 e Å−3
Primary atom site location: structure-invariant direct methods	Extinction correction: none

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
B1	0.8157 (5)	0.8932 (4)	0.7251 (4)	0.0386 (15)
H1'	0.8125	0.9641	0.7376	0.046*
C1	0.8247 (4)	0.8636 (4)	0.4879 (3)	0.0354 (12)
H1	0.8285	0.8213	0.4462	0.043*
C2	0.8292 (4)	0.9767 (4)	0.4569 (4)	0.0424 (13)
H2	0.8359	1.0254	0.3918	0.051*
C3	0.8219 (4)	1.0027 (4)	0.5398 (4)	0.0427 (13)
H3	0.8236	1.0743	0.5426	0.051*
C4	1.0523 (4)	0.7072 (4)	0.7588 (3)	0.0367 (12)
H4	1.0886	0.6421	0.7554	0.044*
C5	1.1011 (4)	0.7847 (4)	0.7874 (3)	0.0426 (13)
H5	1.1747	0.7834	0.8073	0.051*
C6	1.0193 (4)	0.8638 (4)	0.7806 (3)	0.0405 (13)
H6	1.0270	0.9292	0.7942	0.049*
C7	0.6070 (4)	0.6735 (4)	0.8423 (3)	0.0395 (13)
H7	0.5763	0.6032	0.8535	0.047*
C8	0.5601 (5)	0.7450 (4)	0.8884 (4)	0.0517 (15)
H8	0.4938	0.7336	0.9363	0.062*
C9	0.6287 (5)	0.8348 (4)	0.8508 (4)	0.0464 (14)
H9	0.6189	0.8990	0.8677	0.056*
C10	0.8495 (4)	0.4452 (3)	0.8627 (3)	0.0290 (11)
C11	0.8971 (4)	0.3351 (3)	0.8753 (3)	0.0315 (11)
C12	0.8898 (4)	0.2849 (4)	0.8067 (4)	0.0390 (12)
H12	0.8505	0.3203	0.7527	0.047*
C13	0.9382 (5)	0.1845 (4)	0.8150 (4)	0.0497 (14)
H13	0.9317	0.1516	0.7673	0.060*
C14	0.9959 (5)	0.1326 (4)	0.8926 (4)	0.0495 (15)
H14	1.0297	0.0639	0.8986	0.059*
C15	1.0041 (4)	0.1810 (4)	0.9615 (4)	0.0470 (14)
H15	1.0442	0.1453	1.0148	0.056*
C16	0.9548 (4)	0.2809 (4)	0.9540 (3)	0.0374 (12)
H16	0.9603	0.3126	1.0027	0.045*
C17	0.8004 (4)	0.4727 (3)	0.9494 (3)	0.0298 (11)
C18	0.7310 (4)	0.3970 (4)	1.0255 (3)	0.0362 (12)
H18	0.7154	0.3280	1.0211	0.043*
C19	0.6847 (4)	0.4219 (4)	1.1073 (4)	0.0461 (14)
H19	0.6373	0.3698	1.1585	0.055*
C20	0.7062 (4)	0.5207 (4)	1.1154 (4)	0.0475 (14)
H20	0.6737	0.5374	1.1716	0.057*
C21	0.7757 (5)	0.5958 (4)	1.0410 (4)	0.0484 (14)
H21	0.7913	0.6645	1.0461	0.058*
C22	0.8228 (4)	0.5716 (4)	0.9591 (3)	0.0417 (13)
H22	0.8712	0.6236	0.9087	0.050*
C23	0.5401 (4)	0.6507 (3)	0.6241 (3)	0.0265 (10)
C24	0.5229 (4)	0.7597 (4)	0.6139 (3)	0.0334 (11)
H24	0.5853	0.8036	0.6149	0.040*
C25	0.4153 (4)	0.8042 (4)	0.6023 (3)	0.0389 (12)
H25	0.4046	0.8792	0.5933	0.047*
C26	0.3236 (4)	0.7410 (4)	0.6035 (3)	0.0371 (12)
H26	0.2497	0.7722	0.5958	0.045*
C27	0.3386 (4)	0.6325 (4)	0.6157 (3)	0.0352 (12)
H27	0.2752	0.5884	0.6172	0.042*
C28	0.4466 (4)	0.5878 (3)	0.6259 (3)	0.0313 (11)
H28	0.4568	0.5129	0.6343	0.038*
C29	0.7223 (4)	0.6166 (3)	0.4899 (3)	0.0281 (11)
C30	0.6531 (4)	0.6761 (3)	0.4225 (3)	0.0352 (12)
H30	0.5815	0.7024	0.4443	0.042*
C31	0.6870 (5)	0.6977 (4)	0.3238 (3)	0.0422 (13)
H31	0.6388	0.7389	0.2783	0.051*
C32	0.7903 (5)	0.6598 (4)	0.2913 (4)	0.0428 (13)
H32	0.8144	0.6762	0.2235	0.051*
C33	0.8588 (4)	0.5977 (4)	0.3579 (4)	0.0377 (12)
H33	0.9287	0.5689	0.3359	0.045*
C34	0.8257 (4)	0.5776 (3)	0.4555 (3)	0.0299 (11)
H34	0.8742	0.5364	0.5006	0.036*
C35	0.6572 (4)	0.4502 (3)	0.6762 (3)	0.0253 (10)
C36	0.6827 (4)	0.3772 (3)	0.6266 (3)	0.0337 (12)
H36	0.7174	0.4026	0.5605	0.040*
C37	0.6578 (4)	0.2664 (4)	0.6728 (4)	0.0381 (12)
H37	0.6774	0.2170	0.6383	0.046*
C38	0.6057 (4)	0.2287 (4)	0.7670 (4)	0.0401 (13)
H38	0.5869	0.1536	0.7976	0.048*
C39	0.5806 (4)	0.3003 (4)	0.8176 (3)	0.0400 (13)
H39	0.5448	0.2743	0.8834	0.048*
C40	0.6073 (4)	0.4101 (4)	0.7731 (3)	0.0360 (12)
H40	0.5912	0.4584	0.8092	0.043*
C41	0.3203 (7)	0.0075 (7)	0.9844 (5)	0.120 (3)
H41A	0.2559	−0.0211	1.0365	0.180*
H41B	0.3228	0.0870	0.9648	0.180*
H41C	0.3926	−0.0218	1.0078	0.180*
C42	0.3049 (6)	−0.0244 (6)	0.9012 (5)	0.092 (2)
H42A	0.3008	−0.1047	0.9212	0.110*
H42B	0.2315	0.0047	0.8779	0.110*
C43	0.3815 (7)	−0.0031 (5)	0.7392 (5)	0.088 (2)
H43A	0.3098	0.0316	0.7164	0.105*
H43B	0.3744	−0.0822	0.7518	0.105*
C44	0.4811 (6)	0.0426 (5)	0.6632 (5)	0.086 (2)
H44A	0.4699	0.0298	0.6031	0.128*
H44B	0.5517	0.0073	0.6856	0.128*
H44C	0.4874	0.1210	0.6505	0.128*
N1	0.8145 (3)	0.8235 (3)	0.5848 (3)	0.0284 (9)
N2	0.8118 (3)	0.9105 (3)	0.6168 (3)	0.0306 (9)
N3	0.9472 (3)	0.7371 (3)	0.7369 (2)	0.0291 (9)
N4	0.9270 (3)	0.8335 (3)	0.7515 (3)	0.0327 (9)
N5	0.7002 (3)	0.7161 (3)	0.7804 (3)	0.0299 (9)
N6	0.7130 (3)	0.8180 (3)	0.7856 (3)	0.0338 (9)
N7	0.8548 (3)	0.5152 (3)	0.7752 (3)	0.0303 (9)
H7A	0.8889	0.4811	0.7365	0.036*
N8	0.9577 (3)	0.6233 (3)	0.5978 (3)	0.0336 (10)
N9	1.0225 (3)	0.6845 (3)	0.5335 (3)	0.0347 (10)
N10	1.0865 (4)	0.7402 (3)	0.4696 (4)	0.0632 (15)
O1	0.3970 (3)	0.0154 (3)	0.8253 (3)	0.0591 (10)
P1	0.68709 (10)	0.59726 (9)	0.62088 (8)	0.0255 (3)
Ru1	0.82112 (3)	0.66797 (3)	0.68486 (3)	0.02500 (12)

	U11	U22	U33	U12	U13	U23
B1	0.045 (4)	0.035 (3)	0.041 (4)	0.000 (3)	−0.006 (3)	−0.019 (3)
C1	0.045 (3)	0.033 (3)	0.025 (3)	−0.002 (2)	−0.004 (2)	−0.006 (2)
C2	0.056 (4)	0.030 (3)	0.030 (3)	−0.003 (2)	−0.005 (3)	0.004 (2)
C3	0.050 (3)	0.023 (3)	0.050 (4)	0.000 (2)	−0.010 (3)	−0.003 (2)
C4	0.032 (3)	0.041 (3)	0.026 (3)	0.000 (2)	0.000 (2)	0.000 (2)
C5	0.032 (3)	0.061 (3)	0.031 (3)	−0.011 (3)	−0.006 (2)	−0.010 (3)
C6	0.041 (3)	0.050 (3)	0.030 (3)	−0.018 (3)	−0.002 (2)	−0.013 (3)
C7	0.033 (3)	0.054 (3)	0.033 (3)	−0.011 (3)	0.004 (2)	−0.018 (3)
C8	0.040 (3)	0.072 (4)	0.052 (4)	−0.004 (3)	0.008 (3)	−0.040 (3)
C9	0.046 (3)	0.054 (3)	0.054 (4)	0.004 (3)	−0.003 (3)	−0.040 (3)
C10	0.023 (3)	0.032 (3)	0.028 (3)	−0.002 (2)	−0.005 (2)	−0.004 (2)
C11	0.026 (3)	0.030 (3)	0.034 (3)	−0.003 (2)	−0.002 (2)	−0.005 (2)
C12	0.040 (3)	0.034 (3)	0.039 (3)	0.001 (2)	−0.010 (3)	−0.007 (2)
C13	0.062 (4)	0.031 (3)	0.057 (4)	−0.001 (3)	−0.005 (3)	−0.017 (3)
C14	0.053 (4)	0.032 (3)	0.055 (4)	0.008 (3)	−0.004 (3)	−0.007 (3)
C15	0.048 (3)	0.043 (3)	0.038 (3)	0.010 (3)	−0.007 (3)	0.003 (3)
C16	0.041 (3)	0.038 (3)	0.028 (3)	0.005 (2)	−0.006 (2)	−0.004 (2)
C17	0.029 (3)	0.033 (3)	0.024 (3)	−0.002 (2)	−0.006 (2)	−0.003 (2)
C18	0.031 (3)	0.036 (3)	0.037 (3)	−0.002 (2)	−0.003 (2)	−0.007 (2)
C19	0.039 (3)	0.052 (3)	0.038 (3)	−0.006 (3)	0.007 (3)	−0.007 (3)
C20	0.045 (3)	0.065 (4)	0.034 (3)	0.002 (3)	0.000 (3)	−0.020 (3)
C21	0.062 (4)	0.047 (3)	0.038 (3)	−0.013 (3)	0.000 (3)	−0.018 (3)
C22	0.049 (3)	0.041 (3)	0.031 (3)	−0.013 (3)	−0.002 (3)	−0.005 (2)
C23	0.030 (3)	0.031 (2)	0.017 (2)	0.002 (2)	−0.001 (2)	−0.008 (2)
C24	0.034 (3)	0.037 (3)	0.034 (3)	−0.002 (2)	−0.004 (2)	−0.016 (2)
C25	0.044 (3)	0.034 (3)	0.039 (3)	0.013 (2)	−0.009 (3)	−0.012 (2)
C26	0.029 (3)	0.048 (3)	0.033 (3)	0.007 (2)	−0.003 (2)	−0.014 (3)
C27	0.030 (3)	0.045 (3)	0.032 (3)	−0.004 (2)	0.000 (2)	−0.017 (2)
C28	0.036 (3)	0.028 (2)	0.026 (3)	0.000 (2)	0.000 (2)	−0.007 (2)
C29	0.037 (3)	0.020 (2)	0.025 (3)	−0.004 (2)	0.001 (2)	−0.007 (2)
C30	0.038 (3)	0.034 (3)	0.032 (3)	0.000 (2)	−0.005 (2)	−0.009 (2)
C31	0.053 (4)	0.043 (3)	0.027 (3)	0.001 (3)	−0.009 (3)	−0.006 (2)
C32	0.057 (4)	0.045 (3)	0.023 (3)	−0.010 (3)	0.008 (3)	−0.011 (2)
C33	0.038 (3)	0.038 (3)	0.036 (3)	−0.002 (2)	0.009 (3)	−0.016 (2)
C34	0.033 (3)	0.032 (3)	0.025 (3)	−0.002 (2)	−0.005 (2)	−0.010 (2)
C35	0.025 (2)	0.024 (2)	0.028 (3)	0.0003 (19)	−0.004 (2)	−0.011 (2)
C36	0.039 (3)	0.028 (3)	0.028 (3)	−0.004 (2)	0.000 (2)	−0.004 (2)
C37	0.046 (3)	0.030 (3)	0.042 (3)	−0.003 (2)	−0.005 (3)	−0.019 (2)
C38	0.051 (3)	0.024 (3)	0.043 (3)	−0.005 (2)	−0.008 (3)	−0.007 (2)
C39	0.052 (3)	0.038 (3)	0.022 (3)	−0.009 (3)	0.001 (2)	−0.003 (2)
C40	0.046 (3)	0.032 (3)	0.028 (3)	−0.004 (2)	0.002 (2)	−0.010 (2)
C41	0.107 (7)	0.195 (9)	0.076 (6)	−0.029 (6)	0.016 (5)	−0.079 (6)
C42	0.066 (5)	0.120 (6)	0.096 (6)	−0.022 (4)	0.010 (4)	−0.052 (5)
C43	0.117 (6)	0.081 (5)	0.077 (5)	−0.035 (4)	−0.011 (5)	−0.040 (4)
C44	0.135 (7)	0.058 (4)	0.061 (5)	−0.026 (4)	−0.006 (5)	−0.017 (3)
N1	0.030 (2)	0.024 (2)	0.030 (2)	0.0015 (17)	−0.0039 (18)	−0.0082 (18)
N2	0.038 (2)	0.022 (2)	0.032 (2)	−0.0003 (17)	−0.0050 (19)	−0.0090 (18)
N3	0.028 (2)	0.032 (2)	0.023 (2)	−0.0001 (18)	−0.0013 (18)	−0.0033 (18)
N4	0.040 (2)	0.029 (2)	0.030 (2)	−0.0026 (19)	−0.0062 (19)	−0.0100 (18)
N5	0.028 (2)	0.036 (2)	0.029 (2)	0.0026 (18)	−0.0040 (18)	−0.0154 (19)
N6	0.034 (2)	0.036 (2)	0.037 (2)	0.0011 (19)	−0.003 (2)	−0.021 (2)
N7	0.031 (2)	0.030 (2)	0.029 (2)	−0.0027 (17)	−0.0010 (18)	−0.0105 (19)
N8	0.035 (2)	0.028 (2)	0.031 (2)	0.0002 (19)	0.008 (2)	−0.0052 (19)
N9	0.030 (2)	0.036 (2)	0.044 (3)	0.006 (2)	−0.007 (2)	−0.021 (2)
N10	0.051 (3)	0.050 (3)	0.074 (4)	−0.013 (2)	0.029 (3)	−0.014 (3)
O1	0.061 (3)	0.061 (2)	0.062 (3)	0.004 (2)	−0.009 (2)	−0.030 (2)
P1	0.0300 (7)	0.0231 (6)	0.0225 (7)	0.0018 (5)	−0.0013 (5)	−0.0075 (5)
Ru1	0.0269 (2)	0.0245 (2)	0.0208 (2)	0.00069 (15)	−0.00016 (16)	−0.00537 (16)

B1—N4	1.529 (7)	C25—H25	0.9500
B1—N2	1.541 (6)	C26—C27	1.374 (6)
B1—N6	1.548 (6)	C26—H26	0.9500
B1—H1'	1.0000	C27—C28	1.384 (6)
C1—N1	1.333 (5)	C27—H27	0.9500
C1—C2	1.392 (6)	C28—H28	0.9500
C1—H1	0.9500	C29—C30	1.386 (6)
C2—C3	1.362 (6)	C29—C34	1.393 (6)
C2—H2	0.9500	C29—P1	1.845 (4)
C3—N2	1.344 (5)	C30—C31	1.384 (6)
C3—H3	0.9500	C30—H30	0.9500
C4—N3	1.333 (5)	C31—C32	1.377 (7)
C4—C5	1.386 (6)	C31—H31	0.9500
C4—H4	0.9500	C32—C33	1.384 (7)
C5—C6	1.374 (6)	C32—H32	0.9500
C5—H5	0.9500	C33—C34	1.371 (6)
C6—N4	1.337 (5)	C33—H33	0.9500
C6—H6	0.9500	C34—H34	0.9500
C7—N5	1.323 (5)	C35—C36	1.384 (6)
C7—C8	1.385 (6)	C35—C40	1.390 (6)
C7—H7	0.9500	C35—P1	1.840 (4)
C8—C9	1.353 (7)	C36—C37	1.398 (6)
C8—H8	0.9500	C36—H36	0.9500
C9—N6	1.342 (5)	C37—C38	1.363 (6)
C9—H9	0.9500	C37—H37	0.9500
C10—N7	1.299 (5)	C38—C39	1.378 (6)
C10—C17	1.473 (6)	C38—H38	0.9500
C10—C11	1.487 (6)	C39—C40	1.387 (6)
C11—C12	1.389 (6)	C39—H39	0.9500
C11—C16	1.395 (6)	C40—H40	0.9500
C12—C13	1.384 (6)	C41—C42	1.454 (8)
C12—H12	0.9500	C41—H41A	0.9800
C13—C14	1.376 (7)	C41—H41B	0.9800
C13—H13	0.9500	C41—H41C	0.9800
C14—C15	1.378 (7)	C42—O1	1.411 (7)
C14—H14	0.9500	C42—H42A	0.9900
C15—C16	1.385 (6)	C42—H42B	0.9900
C15—H15	0.9500	C43—O1	1.405 (7)
C16—H16	0.9500	C43—C44	1.483 (8)
C17—C22	1.383 (6)	C43—H43A	0.9900
C17—C18	1.395 (6)	C43—H43B	0.9900
C18—C19	1.382 (6)	C44—H44A	0.9800
C18—H18	0.9500	C44—H44B	0.9800
C19—C20	1.369 (7)	C44—H44C	0.9800
C19—H19	0.9500	N1—N2	1.366 (4)
C20—C21	1.380 (7)	N1—Ru1	2.077 (3)
C20—H20	0.9500	N3—N4	1.354 (5)
C21—C22	1.382 (6)	N3—Ru1	2.114 (4)
C21—H21	0.9500	N5—N6	1.372 (5)
C22—H22	0.9500	N5—Ru1	2.084 (4)
C23—C28	1.384 (6)	N7—Ru1	2.056 (3)
C23—C24	1.389 (6)	N7—H7A	0.8800
C23—P1	1.840 (4)	N8—N9	1.200 (5)
C24—C25	1.382 (6)	N8—Ru1	2.097 (4)
C24—H24	0.9500	N9—N10	1.164 (5)
C25—C26	1.373 (6)	P1—Ru1	2.3070 (13)
N4—B1—N2	107.3 (4)	C30—C31—H31	119.9
N4—B1—N6	108.1 (4)	C31—C32—C33	119.7 (5)
N2—B1—N6	107.8 (4)	C31—C32—H32	120.1
N4—B1—H1'	111.1	C33—C32—H32	120.1
N2—B1—H1'	111.1	C34—C33—C32	120.0 (5)
N6—B1—H1'	111.1	C34—C33—H33	120.0
N1—C1—C2	110.0 (4)	C32—C33—H33	120.0
N1—C1—H1	125.0	C33—C34—C29	121.2 (4)
C2—C1—H1	125.0	C33—C34—H34	119.4
C3—C2—C1	105.3 (4)	C29—C34—H34	119.4
C3—C2—H2	127.3	C36—C35—C40	118.1 (4)
C1—C2—H2	127.3	C36—C35—P1	123.5 (3)
N2—C3—C2	108.8 (4)	C40—C35—P1	118.4 (3)
N2—C3—H3	125.6	C35—C36—C37	120.7 (4)
C2—C3—H3	125.6	C35—C36—H36	119.7
N3—C4—C5	110.2 (5)	C37—C36—H36	119.7
N3—C4—H4	124.9	C38—C37—C36	120.5 (4)
C5—C4—H4	124.9	C38—C37—H37	119.7
C6—C5—C4	104.7 (4)	C36—C37—H37	119.7
C6—C5—H5	127.6	C37—C38—C39	119.5 (4)
C4—C5—H5	127.6	C37—C38—H38	120.3
N4—C6—C5	108.7 (4)	C39—C38—H38	120.3
N4—C6—H6	125.6	C38—C39—C40	120.5 (4)
C5—C6—H6	125.6	C38—C39—H39	119.8
N5—C7—C8	111.0 (5)	C40—C39—H39	119.8
N5—C7—H7	124.5	C39—C40—C35	120.7 (4)
C8—C7—H7	124.5	C39—C40—H40	119.6
C9—C8—C7	105.3 (5)	C35—C40—H40	119.6
C9—C8—H8	127.4	C42—C41—H41A	109.5
C7—C8—H8	127.4	C42—C41—H41B	109.5
N6—C9—C8	108.7 (4)	H41A—C41—H41B	109.5
N6—C9—H9	125.7	C42—C41—H41C	109.5
C8—C9—H9	125.7	H41A—C41—H41C	109.5
N7—C10—C17	122.0 (4)	H41B—C41—H41C	109.5
N7—C10—C11	118.8 (4)	O1—C42—C41	110.5 (6)
C17—C10—C11	119.2 (4)	O1—C42—H42A	109.6
C12—C11—C16	117.9 (4)	C41—C42—H42A	109.6
C12—C11—C10	120.9 (4)	O1—C42—H42B	109.6
C16—C11—C10	121.2 (4)	C41—C42—H42B	109.6
C13—C12—C11	121.7 (5)	H42A—C42—H42B	108.1
C13—C12—H12	119.2	O1—C43—C44	109.7 (6)
C11—C12—H12	119.2	O1—C43—H43A	109.7
C14—C13—C12	119.7 (5)	C44—C43—H43A	109.7
C14—C13—H13	120.1	O1—C43—H43B	109.7
C12—C13—H13	120.1	C44—C43—H43B	109.7
C13—C14—C15	119.5 (5)	H43A—C43—H43B	108.2
C13—C14—H14	120.2	C43—C44—H44A	109.5
C15—C14—H14	120.2	C43—C44—H44B	109.5
C14—C15—C16	121.0 (5)	H44A—C44—H44B	109.5
C14—C15—H15	119.5	C43—C44—H44C	109.5
C16—C15—H15	119.5	H44A—C44—H44C	109.5
C15—C16—C11	120.2 (5)	H44B—C44—H44C	109.5
C15—C16—H16	119.9	C1—N1—N2	106.6 (3)
C11—C16—H16	119.9	C1—N1—Ru1	134.0 (3)
C22—C17—C18	118.2 (4)	N2—N1—Ru1	118.9 (3)
C22—C17—C10	121.9 (4)	C3—N2—N1	109.2 (4)
C18—C17—C10	119.9 (4)	C3—N2—B1	129.8 (4)
C19—C18—C17	120.4 (4)	N1—N2—B1	120.3 (4)
C19—C18—H18	119.8	C4—N3—N4	106.8 (4)
C17—C18—H18	119.8	C4—N3—Ru1	133.6 (3)
C20—C19—C18	120.9 (5)	N4—N3—Ru1	119.6 (3)
C20—C19—H19	119.6	C6—N4—N3	109.5 (4)
C18—C19—H19	119.6	C6—N4—B1	131.0 (4)
C19—C20—C21	119.3 (5)	N3—N4—B1	119.2 (4)
C19—C20—H20	120.3	C7—N5—N6	105.6 (4)
C21—C20—H20	120.3	C7—N5—Ru1	136.8 (3)
C20—C21—C22	120.3 (5)	N6—N5—Ru1	117.6 (3)
C20—C21—H21	119.9	C9—N6—N5	109.5 (4)
C22—C21—H21	119.9	C9—N6—B1	129.2 (4)
C21—C22—C17	121.0 (4)	N5—N6—B1	121.3 (4)
C21—C22—H22	119.5	C10—N7—Ru1	149.3 (3)
C17—C22—H22	119.5	C10—N7—H7A	105.4
C28—C23—C24	118.6 (4)	Ru1—N7—H7A	105.4
C28—C23—P1	121.3 (3)	N9—N8—Ru1	125.9 (3)
C24—C23—P1	119.7 (3)	N10—N9—N8	176.9 (5)
C25—C24—C23	120.1 (4)	C43—O1—C42	113.3 (5)
C25—C24—H24	120.0	C23—P1—C35	100.84 (19)
C23—C24—H24	120.0	C23—P1—C29	100.2 (2)
C26—C25—C24	120.6 (4)	C35—P1—C29	103.21 (19)
C26—C25—H25	119.7	C23—P1—Ru1	118.60 (15)
C24—C25—H25	119.7	C35—P1—Ru1	116.39 (14)
C25—C26—C27	119.9 (5)	C29—P1—Ru1	115.06 (14)
C25—C26—H26	120.0	N7—Ru1—N1	170.95 (14)
C27—C26—H26	120.0	N7—Ru1—N5	99.27 (14)
C26—C27—C28	119.7 (5)	N1—Ru1—N5	88.06 (14)
C26—C27—H27	120.1	N7—Ru1—N8	79.20 (14)
C28—C27—H27	120.1	N1—Ru1—N8	92.89 (14)
C23—C28—C27	121.0 (4)	N5—Ru1—N8	173.15 (15)
C23—C28—H28	119.5	N7—Ru1—N3	90.87 (14)
C27—C28—H28	119.5	N1—Ru1—N3	84.22 (14)
C30—C29—C34	118.1 (4)	N5—Ru1—N3	86.64 (14)
C30—C29—P1	122.1 (4)	N8—Ru1—N3	86.71 (15)
C34—C29—P1	119.6 (3)	N7—Ru1—P1	90.93 (10)
C31—C30—C29	120.8 (5)	N1—Ru1—P1	93.73 (10)
C31—C30—H30	119.6	N5—Ru1—P1	94.99 (10)
C29—C30—H30	119.6	N8—Ru1—P1	91.71 (11)
C32—C31—C30	120.1 (5)	N3—Ru1—P1	177.35 (10)
C32—C31—H31	119.9