Synthesis and structural characterizations of three carbon­yl(α-di­imine)­hydrido(tri­phenyl­phos­phine)ruthenium(II) com­plexes with derivatives of 1,10-phenanthroline

Three new ruthenium(II) polypyridyl com­plexes containing α-di­imine ligands, namely, carbonyl­hydrido(1,10-phenanthroline-κ²N,N)bis­(tri­phenyl­phosphine-κP)ruthenium(II) hexa­fluoro­phosphate, [RuH(C₁₂H₈N₂)(C₁₈H₁₅P)₂(CO)]PF₆, car­bon­yl­hydrido(2,9-dimethyl-1,10-phenanthroline-κ²N,N)bis­(tri­phenyl­phos­phine-κP)ruthenium(II) hexa­fluoro­phosphate, and carbonyl­hydrido(4,7-di­methyl-1,10-phenanthroline-κ²N,N)bis­(tri­phenyl­phosphine-κP)ruthenium(II) hexa­fluoro­phosphate, both [RuH(C₁₄H₁₂N₂)(C₁₈H₁₅P)₂(CO)]PF₆, were syn­the­sized and characterized by spectroscopic and X-ray diffraction methods. In these com­plexes, the ruthenium(II) ion adopts a distorted octa­hedral geometry. There are no inter­molecular hydrogen bonds in the crystal structures of the ana­lysed com­plexes and Hirshfeld surface analysis showed that the H...H contacts constitute a high percentage, close to 50%, of the inter­molecular inter­actions.

Computing details

Carbonylhydrido(1,10-phenanthroline-κ²N,N)bis(triphenylphosphane-κP)ruthenium(II) hexafluoridophosphate (1_Ruphen)

Crystal data

[RuH(C12H8N2)(C18H15P)2(CO)]PF6	F(000) = 1992
Mr = 979.80	Dx = 1.341 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
a = 10.5442 (6) Å	Cell parameters from 6271 reflections
b = 21.1741 (13) Å	θ = 2.1–28.7°
c = 21.9326 (13) Å	µ = 0.48 mm^−1
β = 97.528 (5)°	T = 298 K
V = 4854.6 (5) Å^3	Needle, yellow
Z = 4	0.50 × 0.12 × 0.10 mm

Data collection

KM4 CCD four-circle diffractometer	6576 reflections with I > 2σ(I)
ω scans	Rint = 0.052
Absorption correction: multi-scan CrysAlis PRO (Rigaku OD, 2022)	θmax = 29.0°, θmin = 1.9°
Tmin = 0.802, Tmax = 1.000	h = −13→14
23138 measured reflections	k = −26→26
11206 independent reflections	l = −28→21

Refinement

Refinement on F^2	Primary atom site location: difference Fourier map
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.060	Hydrogen site location: mixed
wR(F^2) = 0.146	H atoms treated by a mixture of independent and constrained refinement
S = 1.02	w = 1/[σ^2(Fo^2) + (0.0467P)^2 + 2.6156P] where P = (Fo^2 + 2Fc^2)/3
11206 reflections	(Δ/σ)max < 0.001
562 parameters	Δρmax = 0.67 e Å^−3
0 restraints	Δρmin = −0.69 e Å^−3

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
C2	0.3613 (4)	0.2342 (2)	0.0882 (2)	0.0444 (12)
H2	0.3043	0.2551	0.0591	0.067*
C3	0.4858 (5)	0.2244 (3)	0.0759 (2)	0.0565 (15)
H3	0.5113	0.2387	0.0393	0.085*
C4	0.5702 (5)	0.1934 (3)	0.1183 (3)	0.0575 (15)
H4	0.6537	0.1863	0.1106	0.086*
C5	0.6136 (4)	0.1417 (3)	0.2197 (3)	0.0526 (14)
H5	0.6980	0.1338	0.2140	0.079*
C6	0.5725 (5)	0.1239 (3)	0.2722 (3)	0.0569 (16)
H6	0.6297	0.1049	0.3026	0.085*
C7	0.3941 (5)	0.1158 (3)	0.3367 (2)	0.0592 (15)
H7	0.4461	0.0954	0.3682	0.089*
C8	0.2707 (5)	0.1287 (3)	0.3431 (2)	0.0598 (16)
H8	0.2384	0.1179	0.3792	0.090*
C9	0.1922 (4)	0.1582 (2)	0.2952 (2)	0.0456 (12)
H9	0.1075	0.1663	0.3002	0.068*
C11	0.4042 (4)	0.1833 (2)	0.1818 (2)	0.0344 (10)
C12	0.5313 (4)	0.1726 (2)	0.1723 (2)	0.0423 (12)
C13	0.3588 (4)	0.1636 (2)	0.2368 (2)	0.0333 (10)
C14	0.4439 (4)	0.1333 (2)	0.2829 (2)	0.0448 (12)
C21	−0.0290 (4)	0.2414 (2)	0.18322 (19)	0.0373 (11)
C31	0.1011 (4)	0.3672 (2)	0.25371 (19)	0.0349 (11)
C32	0.0324 (4)	0.3329 (2)	0.2928 (2)	0.0410 (12)
H32	0.0425	0.2893	0.2953	0.062*
C33	−0.0495 (5)	0.3620 (3)	0.3276 (2)	0.0518 (14)
H33	−0.0930	0.3382	0.3539	0.078*
C34	−0.0672 (5)	0.4261 (3)	0.3237 (2)	0.0607 (16)
H34	−0.1234	0.4461	0.3467	0.091*
C35	−0.0011 (6)	0.4599 (3)	0.2854 (3)	0.0760 (19)
H35	−0.0129	0.5034	0.2825	0.114*
C36	0.0824 (5)	0.4314 (3)	0.2510 (2)	0.0563 (15)
H36	0.1269	0.4558	0.2256	0.084*
C41	0.2530 (4)	0.3855 (2)	0.1559 (2)	0.0393 (11)
C42	0.2048 (6)	0.3846 (3)	0.0948 (2)	0.0619 (16)
H42	0.1473	0.3532	0.0798	0.093*
C43	0.2412 (7)	0.4302 (3)	0.0551 (3)	0.090 (2)
H43	0.2102	0.4286	0.0134	0.135*
C44	0.3225 (7)	0.4776 (3)	0.0771 (3)	0.086 (2)
H44	0.3456	0.5086	0.0505	0.129*
C45	0.3692 (6)	0.4796 (3)	0.1372 (3)	0.0728 (18)
H45	0.4245	0.5119	0.1519	0.109*
C46	0.3363 (5)	0.4345 (3)	0.1768 (3)	0.0571 (15)
H46	0.3697	0.4365	0.2182	0.086*
C51	0.3557 (4)	0.3155 (2)	0.26264 (19)	0.0333 (10)
C52	0.4731 (4)	0.3122 (2)	0.2405 (2)	0.0442 (12)
H52	0.4785	0.3209	0.1994	0.066*
C53	0.5824 (4)	0.2960 (3)	0.2796 (3)	0.0541 (14)
H53	0.6609	0.2940	0.2647	0.081*
C54	0.5747 (5)	0.2830 (3)	0.3402 (3)	0.0586 (16)
H54	0.6482	0.2723	0.3664	0.088*
C55	0.4595 (5)	0.2857 (3)	0.3626 (2)	0.0529 (14)
H55	0.4547	0.2764	0.4037	0.079*
C56	0.3508 (4)	0.3023 (2)	0.3241 (2)	0.0421 (12)
H56	0.2730	0.3047	0.3396	0.063*
C61	−0.0866 (4)	0.1529 (2)	0.05085 (19)	0.0353 (11)
C62	−0.1521 (5)	0.1019 (3)	0.0227 (3)	0.0623 (16)
H62	−0.1254	0.0610	0.0331	0.093*
C63	−0.2582 (5)	0.1119 (3)	−0.0213 (3)	0.0707 (18)
H63	−0.3004	0.0776	−0.0412	0.106*
C64	−0.3004 (5)	0.1715 (3)	−0.0354 (2)	0.0578 (16)
H64	−0.3729	0.1779	−0.0637	0.087*
C65	−0.2361 (4)	0.2217 (3)	−0.0078 (2)	0.0511 (14)
H65	−0.2640	0.2625	−0.0178	0.077*
C66	−0.1296 (4)	0.2125 (3)	0.0351 (2)	0.0451 (13)
H66	−0.0865	0.2473	0.0536	0.068*
C71	0.0073 (4)	0.0715 (2)	0.1493 (2)	0.0378 (11)
C72	0.0196 (5)	0.0098 (2)	0.1299 (2)	0.0501 (13)
H72	0.0619	0.0017	0.0961	0.075*
C73	−0.0301 (5)	−0.0396 (3)	0.1600 (3)	0.0671 (17)
H73	−0.0213	−0.0809	0.1466	0.101*
C74	−0.0929 (5)	−0.0278 (3)	0.2102 (3)	0.0656 (18)
H74	−0.1280	−0.0613	0.2298	0.098*
C75	−0.1046 (5)	0.0331 (3)	0.2317 (3)	0.0599 (16)
H75	−0.1458	0.0409	0.2660	0.090*
C76	−0.0533 (4)	0.0822 (3)	0.2009 (2)	0.0472 (13)
H76	−0.0597	0.1233	0.2151	0.071*
C81	0.1723 (4)	0.1085 (2)	0.0612 (2)	0.0362 (11)
C82	0.1691 (5)	0.1235 (3)	−0.0001 (2)	0.0551 (15)
H82	0.0999	0.1461	−0.0198	0.083*
C83	0.2657 (5)	0.1057 (3)	−0.0326 (3)	0.0704 (18)
H83	0.2612	0.1161	−0.0741	0.106*
C84	0.3681 (5)	0.0731 (3)	−0.0047 (3)	0.0702 (18)
H84	0.4334	0.0611	−0.0270	0.105*
C85	0.3747 (5)	0.0581 (3)	0.0561 (3)	0.0606 (16)
H85	0.4457	0.0367	0.0755	0.091*
C86	0.2767 (4)	0.0745 (2)	0.0892 (2)	0.0455 (13)
H86	0.2807	0.0628	0.1303	0.068*
N1	0.3201 (3)	0.21500 (17)	0.13991 (15)	0.0303 (8)
N10	0.2334 (3)	0.17509 (17)	0.24298 (16)	0.0324 (8)
O22	−0.1335 (3)	0.24877 (18)	0.19164 (17)	0.0583 (10)
P1	0.20877 (10)	0.32570 (6)	0.20867 (5)	0.0311 (3)
P2	0.05584 (10)	0.14000 (6)	0.10746 (5)	0.0312 (3)
Ru1	0.13362 (3)	0.22792 (2)	0.16511 (2)	0.02912 (11)
H1	0.091 (4)	0.268 (2)	0.1048 (18)	0.044*
F1	0.2674 (4)	0.3598 (3)	−0.0938 (2)	0.154 (2)
F2	0.3636 (4)	0.3100 (3)	−0.16019 (17)	0.145 (2)
F3	0.4537 (6)	0.3923 (3)	−0.1173 (4)	0.202 (3)
F4	0.3542 (6)	0.2677 (3)	−0.0703 (3)	0.173 (2)
F5	0.4378 (4)	0.3501 (3)	−0.02516 (19)	0.151 (2)
F6	0.5354 (4)	0.3011 (3)	−0.0929 (2)	0.150 (2)
P3	0.40207 (14)	0.33290 (9)	−0.09289 (7)	0.0635 (5)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C2	0.041 (3)	0.049 (3)	0.045 (3)	−0.002 (2)	0.010 (2)	0.001 (3)
C3	0.045 (3)	0.066 (4)	0.063 (3)	−0.004 (3)	0.025 (2)	−0.005 (3)
C4	0.036 (3)	0.064 (4)	0.075 (4)	−0.002 (3)	0.019 (3)	−0.014 (3)
C5	0.031 (3)	0.040 (3)	0.085 (4)	0.012 (2)	0.001 (3)	−0.006 (3)
C6	0.038 (3)	0.045 (4)	0.081 (4)	0.018 (3)	−0.018 (3)	−0.003 (3)
C7	0.062 (4)	0.051 (4)	0.060 (3)	0.003 (3)	−0.009 (3)	0.018 (3)
C8	0.071 (4)	0.056 (4)	0.052 (3)	−0.007 (3)	0.006 (3)	0.020 (3)
C9	0.047 (3)	0.045 (3)	0.047 (3)	−0.003 (2)	0.010 (2)	0.003 (3)
C11	0.030 (2)	0.026 (3)	0.046 (3)	−0.003 (2)	0.0001 (19)	−0.005 (2)
C12	0.027 (2)	0.041 (3)	0.059 (3)	0.001 (2)	0.008 (2)	−0.011 (3)
C13	0.030 (2)	0.022 (2)	0.047 (3)	0.0028 (19)	0.0003 (19)	−0.006 (2)
C14	0.042 (3)	0.033 (3)	0.056 (3)	0.001 (2)	−0.006 (2)	0.003 (3)
C21	0.034 (3)	0.040 (3)	0.038 (2)	−0.003 (2)	0.0020 (19)	−0.006 (2)
C31	0.036 (2)	0.034 (3)	0.035 (2)	0.005 (2)	0.0036 (18)	−0.001 (2)
C32	0.041 (3)	0.040 (3)	0.041 (3)	0.001 (2)	0.004 (2)	−0.004 (2)
C33	0.047 (3)	0.067 (4)	0.042 (3)	0.005 (3)	0.009 (2)	−0.003 (3)
C34	0.071 (4)	0.059 (4)	0.054 (3)	0.028 (3)	0.019 (3)	0.000 (3)
C35	0.108 (5)	0.044 (4)	0.083 (4)	0.027 (4)	0.036 (4)	0.007 (4)
C36	0.069 (4)	0.040 (3)	0.066 (4)	0.016 (3)	0.034 (3)	0.009 (3)
C41	0.048 (3)	0.034 (3)	0.038 (3)	0.002 (2)	0.011 (2)	0.004 (2)
C42	0.099 (4)	0.040 (3)	0.045 (3)	−0.007 (3)	0.005 (3)	0.006 (3)
C43	0.154 (7)	0.064 (5)	0.050 (4)	−0.018 (5)	0.008 (4)	0.003 (4)
C44	0.133 (6)	0.062 (5)	0.068 (4)	−0.015 (4)	0.030 (4)	0.024 (4)
C45	0.076 (4)	0.044 (4)	0.100 (5)	−0.025 (3)	0.016 (4)	0.016 (4)
C46	0.064 (4)	0.038 (3)	0.068 (4)	−0.012 (3)	0.003 (3)	0.008 (3)
C51	0.033 (2)	0.026 (2)	0.041 (3)	−0.002 (2)	0.0013 (19)	−0.006 (2)
C52	0.039 (3)	0.040 (3)	0.053 (3)	−0.001 (2)	0.004 (2)	−0.010 (3)
C53	0.036 (3)	0.042 (3)	0.082 (4)	0.002 (2)	0.000 (3)	−0.016 (3)
C54	0.045 (3)	0.043 (4)	0.079 (4)	0.005 (3)	−0.022 (3)	−0.012 (3)
C55	0.054 (3)	0.054 (4)	0.046 (3)	−0.003 (3)	−0.010 (2)	−0.003 (3)
C56	0.039 (3)	0.038 (3)	0.048 (3)	0.004 (2)	0.001 (2)	−0.003 (2)
C61	0.030 (2)	0.039 (3)	0.037 (2)	0.000 (2)	0.0011 (18)	−0.008 (2)
C62	0.053 (3)	0.045 (4)	0.081 (4)	−0.005 (3)	−0.019 (3)	−0.007 (3)
C63	0.051 (3)	0.075 (5)	0.078 (4)	−0.011 (3)	−0.020 (3)	−0.024 (4)
C64	0.036 (3)	0.084 (5)	0.049 (3)	0.006 (3)	−0.008 (2)	−0.004 (3)
C65	0.045 (3)	0.057 (4)	0.048 (3)	0.014 (3)	−0.007 (2)	0.002 (3)
C66	0.037 (3)	0.052 (4)	0.044 (3)	−0.004 (2)	−0.003 (2)	0.000 (3)
C71	0.033 (2)	0.036 (3)	0.043 (3)	0.001 (2)	−0.001 (2)	0.002 (2)
C72	0.054 (3)	0.036 (3)	0.059 (3)	−0.006 (3)	0.003 (2)	−0.004 (3)
C73	0.065 (4)	0.031 (3)	0.098 (5)	−0.004 (3)	−0.016 (3)	0.008 (3)
C74	0.043 (3)	0.061 (4)	0.092 (5)	−0.007 (3)	0.003 (3)	0.036 (4)
C75	0.049 (3)	0.056 (4)	0.075 (4)	0.004 (3)	0.011 (3)	0.022 (3)
C76	0.036 (3)	0.044 (3)	0.061 (3)	0.003 (2)	0.007 (2)	0.014 (3)
C81	0.033 (2)	0.029 (3)	0.047 (3)	−0.001 (2)	0.0032 (19)	−0.005 (2)
C82	0.053 (3)	0.065 (4)	0.049 (3)	0.007 (3)	0.011 (2)	0.000 (3)
C83	0.064 (4)	0.093 (5)	0.059 (4)	0.007 (4)	0.024 (3)	0.000 (4)
C84	0.059 (4)	0.082 (5)	0.074 (4)	0.009 (3)	0.023 (3)	−0.025 (4)
C85	0.041 (3)	0.056 (4)	0.083 (4)	0.018 (3)	−0.001 (3)	−0.027 (3)
C86	0.043 (3)	0.036 (3)	0.056 (3)	0.006 (2)	0.003 (2)	−0.011 (3)
N1	0.0281 (18)	0.028 (2)	0.0347 (19)	−0.0009 (16)	0.0044 (14)	−0.0045 (17)
N10	0.0285 (19)	0.027 (2)	0.041 (2)	−0.0017 (16)	0.0030 (15)	0.0030 (18)
O22	0.0337 (19)	0.065 (3)	0.078 (2)	0.0040 (18)	0.0121 (17)	−0.015 (2)
P1	0.0300 (6)	0.0278 (7)	0.0350 (6)	−0.0007 (5)	0.0028 (5)	−0.0024 (5)
P2	0.0281 (6)	0.0282 (7)	0.0367 (6)	0.0006 (5)	0.0011 (4)	−0.0032 (5)
Ru1	0.02368 (18)	0.0283 (2)	0.03491 (19)	0.00046 (16)	0.00221 (13)	−0.00235 (18)
F1	0.096 (3)	0.249 (7)	0.117 (3)	0.076 (4)	0.009 (3)	−0.014 (4)
F2	0.139 (4)	0.214 (6)	0.074 (3)	0.025 (4)	−0.017 (3)	−0.035 (3)
F3	0.218 (6)	0.095 (4)	0.295 (8)	−0.049 (4)	0.045 (6)	0.072 (5)
F4	0.184 (5)	0.158 (6)	0.168 (5)	−0.064 (4)	−0.007 (4)	0.053 (5)
F5	0.154 (4)	0.207 (6)	0.083 (3)	0.009 (4)	−0.019 (3)	−0.051 (4)
F6	0.091 (3)	0.222 (6)	0.135 (4)	0.057 (4)	0.010 (3)	0.035 (4)
P3	0.0555 (10)	0.0783 (13)	0.0554 (9)	−0.0041 (9)	0.0025 (7)	0.0100 (9)

Geometric parameters (Å, º)

C2—N1	1.330 (5)	C53—C54	1.370 (7)
C2—C3	1.390 (6)	C53—H53	0.9300
C2—H2	0.9300	C54—C55	1.369 (7)
C3—C4	1.368 (7)	C54—H54	0.9300
C3—H3	0.9300	C55—C56	1.377 (6)
C4—C12	1.377 (7)	C55—H55	0.9300
C4—H4	0.9300	C56—H56	0.9300
C5—C6	1.337 (7)	C61—C66	1.370 (7)
C5—C12	1.423 (7)	C61—C62	1.384 (6)
C5—H5	0.9300	C61—P2	1.839 (4)
C6—C14	1.420 (7)	C62—C63	1.395 (7)
C6—H6	0.9300	C62—H62	0.9300
C7—C8	1.354 (7)	C63—C64	1.359 (8)
C7—C14	1.403 (7)	C63—H63	0.9300
C7—H7	0.9300	C64—C65	1.359 (7)
C8—C9	1.397 (6)	C64—H64	0.9300
C8—H8	0.9300	C65—C66	1.380 (6)
C9—N10	1.326 (5)	C65—H65	0.9300
C9—H9	0.9300	C66—H66	0.9300
C11—N1	1.366 (5)	C71—C72	1.384 (7)
C11—C12	1.401 (6)	C71—C76	1.390 (6)
C11—C13	1.418 (6)	C71—P2	1.825 (5)
C13—N10	1.369 (5)	C72—C73	1.378 (7)
C13—C14	1.414 (6)	C72—H72	0.9300
C21—O22	1.152 (5)	C73—C74	1.379 (8)
C21—Ru1	1.832 (5)	C73—H73	0.9300
C31—C36	1.374 (7)	C74—C75	1.385 (8)
C31—C32	1.397 (6)	C74—H74	0.9300
C31—P1	1.826 (4)	C75—C76	1.389 (7)
C32—C33	1.371 (6)	C75—H75	0.9300
C32—H32	0.9300	C76—H76	0.9300
C33—C34	1.371 (8)	C81—C82	1.376 (6)
C33—H33	0.9300	C81—C86	1.389 (6)
C34—C35	1.364 (8)	C81—P2	1.820 (5)
C34—H34	0.9300	C82—C83	1.371 (7)
C35—C36	1.372 (7)	C82—H82	0.9300
C35—H35	0.9300	C83—C84	1.357 (8)
C36—H36	0.9300	C83—H83	0.9300
C41—C42	1.371 (6)	C84—C85	1.364 (8)
C41—C46	1.397 (7)	C84—H84	0.9300
C41—P1	1.817 (5)	C85—C86	1.383 (6)
C42—C43	1.388 (8)	C85—H85	0.9300
C42—H42	0.9300	C86—H86	0.9300
C43—C44	1.366 (9)	N1—Ru1	2.129 (3)
C43—H43	0.9300	N10—Ru1	2.192 (3)
C44—C45	1.346 (8)	P1—Ru1	2.3725 (12)
C44—H44	0.9300	P2—Ru1	2.3378 (12)
C45—C46	1.365 (7)	Ru1—H1	1.59 (4)
C45—H45	0.9300	F1—P3	1.527 (4)
C46—H46	0.9300	F2—P3	1.556 (4)
C51—C56	1.384 (6)	F3—P3	1.497 (5)
C51—C52	1.390 (6)	F4—P3	1.572 (5)
C51—P1	1.835 (4)	F5—P3	1.528 (4)
C52—C53	1.386 (6)	F6—P3	1.559 (4)
C52—H52	0.9300
N1—C2—C3	122.8 (4)	C64—C63—C62	120.5 (5)
N1—C2—H2	118.6	C64—C63—H63	119.8
C3—C2—H2	118.6	C62—C63—H63	119.8
C4—C3—C2	119.1 (5)	C65—C64—C63	119.7 (5)
C4—C3—H3	120.4	C65—C64—H64	120.2
C2—C3—H3	120.4	C63—C64—H64	120.2
C3—C4—C12	119.8 (5)	C64—C65—C66	120.5 (5)
C3—C4—H4	120.1	C64—C65—H65	119.7
C12—C4—H4	120.1	C66—C65—H65	119.7
C6—C5—C12	121.6 (5)	C61—C66—C65	120.9 (5)
C6—C5—H5	119.2	C61—C66—H66	119.5
C12—C5—H5	119.2	C65—C66—H66	119.5
C5—C6—C14	121.8 (5)	C72—C71—C76	118.4 (5)
C5—C6—H6	119.1	C72—C71—P2	123.5 (4)
C14—C6—H6	119.1	C76—C71—P2	117.9 (4)
C8—C7—C14	120.3 (5)	C73—C72—C71	120.8 (5)
C8—C7—H7	119.8	C73—C72—H72	119.6
C14—C7—H7	119.8	C71—C72—H72	119.6
C7—C8—C9	119.6 (5)	C72—C73—C74	119.9 (6)
C7—C8—H8	120.2	C72—C73—H73	120.1
C9—C8—H8	120.2	C74—C73—H73	120.1
N10—C9—C8	122.8 (5)	C73—C74—C75	121.0 (6)
N10—C9—H9	118.6	C73—C74—H74	119.5
C8—C9—H9	118.6	C75—C74—H74	119.5
N1—C11—C12	122.0 (4)	C74—C75—C76	118.3 (6)
N1—C11—C13	117.1 (4)	C74—C75—H75	120.9
C12—C11—C13	120.9 (4)	C76—C75—H75	120.9
C4—C12—C11	118.3 (4)	C75—C76—C71	121.6 (5)
C4—C12—C5	123.6 (5)	C75—C76—H76	119.2
C11—C12—C5	118.0 (5)	C71—C76—H76	119.2
N10—C13—C14	122.7 (4)	C82—C81—C86	117.9 (4)
N10—C13—C11	118.0 (4)	C82—C81—P2	121.9 (4)
C14—C13—C11	119.3 (4)	C86—C81—P2	119.7 (4)
C7—C14—C13	116.7 (4)	C83—C82—C81	121.3 (5)
C7—C14—C6	124.9 (5)	C83—C82—H82	119.3
C13—C14—C6	118.4 (5)	C81—C82—H82	119.3
O22—C21—Ru1	176.5 (4)	C84—C83—C82	120.4 (6)
C36—C31—C32	117.3 (5)	C84—C83—H83	119.8
C36—C31—P1	123.3 (4)	C82—C83—H83	119.8
C32—C31—P1	119.4 (4)	C83—C84—C85	119.7 (5)
C33—C32—C31	121.5 (5)	C83—C84—H84	120.2
C33—C32—H32	119.2	C85—C84—H84	120.2
C31—C32—H32	119.2	C84—C85—C86	120.6 (5)
C34—C33—C32	120.0 (5)	C84—C85—H85	119.7
C34—C33—H33	120.0	C86—C85—H85	119.7
C32—C33—H33	120.0	C85—C86—C81	120.0 (5)
C35—C34—C33	118.9 (5)	C85—C86—H86	120.0
C35—C34—H34	120.6	C81—C86—H86	120.0
C33—C34—H34	120.6	C2—N1—C11	117.9 (4)
C34—C35—C36	121.6 (6)	C2—N1—Ru1	126.7 (3)
C34—C35—H35	119.2	C11—N1—Ru1	115.4 (3)
C36—C35—H35	119.2	C9—N10—C13	117.9 (4)
C35—C36—C31	120.7 (5)	C9—N10—Ru1	129.3 (3)
C35—C36—H36	119.6	C13—N10—Ru1	112.6 (3)
C31—C36—H36	119.6	C41—P1—C31	103.8 (2)
C42—C41—C46	117.9 (5)	C41—P1—C51	103.2 (2)
C42—C41—P1	121.3 (4)	C31—P1—C51	103.90 (19)
C46—C41—P1	120.7 (4)	C41—P1—Ru1	116.86 (16)
C41—C42—C43	120.4 (6)	C31—P1—Ru1	116.08 (15)
C41—C42—H42	119.8	C51—P1—Ru1	111.46 (15)
C43—C42—H42	119.8	C81—P2—C71	104.1 (2)
C44—C43—C42	120.2 (6)	C81—P2—C61	103.2 (2)
C44—C43—H43	119.9	C71—P2—C61	101.5 (2)
C42—C43—H43	119.9	C81—P2—Ru1	112.30 (15)
C45—C44—C43	120.0 (6)	C71—P2—Ru1	117.57 (15)
C45—C44—H44	120.0	C61—P2—Ru1	116.37 (16)
C43—C44—H44	120.0	C21—Ru1—N1	177.09 (17)
C44—C45—C46	120.7 (6)	C21—Ru1—N10	106.12 (16)
C44—C45—H45	119.6	N1—Ru1—N10	76.79 (13)
C46—C45—H45	119.6	C21—Ru1—P2	88.23 (14)
C45—C46—C41	120.7 (5)	N1—Ru1—P2	91.59 (9)
C45—C46—H46	119.6	N10—Ru1—P2	96.53 (10)
C41—C46—H46	119.6	C21—Ru1—P1	92.84 (15)
C56—C51—C52	118.6 (4)	N1—Ru1—P1	86.88 (10)
C56—C51—P1	121.1 (3)	N10—Ru1—P1	91.76 (10)
C52—C51—P1	119.7 (3)	P2—Ru1—P1	171.00 (4)
C53—C52—C51	120.1 (5)	C21—Ru1—H1	86.0 (14)
C53—C52—H52	119.9	N1—Ru1—H1	91.1 (14)
C51—C52—H52	119.9	N10—Ru1—H1	167.6 (14)
C54—C53—C52	120.0 (5)	P2—Ru1—H1	86.3 (15)
C54—C53—H53	120.0	P1—Ru1—H1	84.9 (15)
C52—C53—H53	120.0	F3—P3—F5	95.3 (4)
C55—C54—C53	120.5 (5)	F3—P3—F1	93.6 (4)
C55—C54—H54	119.8	F5—P3—F1	91.9 (3)
C53—C54—H54	119.8	F3—P3—F2	89.2 (4)
C54—C55—C56	119.8 (5)	F5—P3—F2	175.5 (4)
C54—C55—H55	120.1	F1—P3—F2	88.7 (2)
C56—C55—H55	120.1	F3—P3—F6	89.6 (3)
C55—C56—C51	120.9 (5)	F5—P3—F6	89.7 (3)
C55—C56—H56	119.5	F1—P3—F6	176.2 (4)
C51—C56—H56	119.5	F2—P3—F6	89.3 (3)
C66—C61—C62	118.5 (4)	F3—P3—F4	175.8 (4)
C66—C61—P2	121.4 (3)	F5—P3—F4	87.2 (3)
C62—C61—P2	120.0 (4)	F1—P3—F4	89.7 (3)
C61—C62—C63	119.9 (5)	F2—P3—F4	88.3 (3)
C61—C62—H62	120.1	F6—P3—F4	87.0 (3)
C63—C62—H62	120.1
N1—C2—C3—C4	0.4 (8)	C73—C74—C75—C76	1.1 (8)
C2—C3—C4—C12	−0.2 (8)	C74—C75—C76—C71	0.7 (7)
C12—C5—C6—C14	1.8 (9)	C72—C71—C76—C75	−2.1 (7)
C14—C7—C8—C9	1.3 (8)	P2—C71—C76—C75	173.5 (4)
C7—C8—C9—N10	−0.6 (8)	C86—C81—C82—C83	−0.2 (8)
C3—C4—C12—C11	0.9 (8)	P2—C81—C82—C83	172.0 (5)
C3—C4—C12—C5	−178.0 (5)	C81—C82—C83—C84	−0.5 (10)
N1—C11—C12—C4	−1.8 (7)	C82—C83—C84—C85	−0.2 (10)
C13—C11—C12—C4	−179.5 (5)	C83—C84—C85—C86	1.5 (10)
N1—C11—C12—C5	177.2 (4)	C84—C85—C86—C81	−2.3 (9)
C13—C11—C12—C5	−0.5 (7)	C82—C81—C86—C85	1.6 (7)
C6—C5—C12—C4	178.1 (5)	P2—C81—C86—C85	−170.9 (4)
C6—C5—C12—C11	−0.8 (8)	C3—C2—N1—C11	−1.2 (7)
N1—C11—C13—N10	2.6 (6)	C3—C2—N1—Ru1	179.1 (4)
C12—C11—C13—N10	−179.6 (4)	C12—C11—N1—C2	1.9 (6)
N1—C11—C13—C14	−177.0 (4)	C13—C11—N1—C2	179.6 (4)
C12—C11—C13—C14	0.8 (7)	C12—C11—N1—Ru1	−178.4 (3)
C8—C7—C14—C13	−0.7 (8)	C13—C11—N1—Ru1	−0.6 (5)
C8—C7—C14—C6	177.9 (5)	C8—C9—N10—C13	−0.9 (7)
N10—C13—C14—C7	−0.8 (7)	C8—C9—N10—Ru1	−174.8 (4)
C11—C13—C14—C7	178.8 (5)	C14—C13—N10—C9	1.6 (6)
N10—C13—C14—C6	−179.5 (4)	C11—C13—N10—C9	−178.1 (4)
C11—C13—C14—C6	0.2 (7)	C14—C13—N10—Ru1	176.4 (3)
C5—C6—C14—C7	−180.0 (6)	C11—C13—N10—Ru1	−3.2 (5)
C5—C6—C14—C13	−1.4 (8)	C42—C41—P1—C31	−106.4 (5)
C36—C31—C32—C33	−0.6 (7)	C46—C41—P1—C31	72.7 (4)
P1—C31—C32—C33	179.9 (3)	C42—C41—P1—C51	145.4 (4)
C31—C32—C33—C34	1.2 (7)	C46—C41—P1—C51	−35.5 (5)
C32—C33—C34—C35	−0.8 (8)	C42—C41—P1—Ru1	22.8 (5)
C33—C34—C35—C36	−0.1 (9)	C46—C41—P1—Ru1	−158.2 (4)
C34—C35—C36—C31	0.7 (10)	C36—C31—P1—C41	−9.3 (5)
C32—C31—C36—C35	−0.3 (8)	C32—C31—P1—C41	170.2 (3)
P1—C31—C36—C35	179.2 (4)	C36—C31—P1—C51	98.3 (4)
C46—C41—C42—C43	1.8 (9)	C32—C31—P1—C51	−82.2 (4)
P1—C41—C42—C43	−179.1 (5)	C36—C31—P1—Ru1	−139.0 (4)
C41—C42—C43—C44	−2.0 (11)	C32—C31—P1—Ru1	40.5 (4)
C42—C43—C44—C45	1.1 (12)	C56—C51—P1—C41	145.6 (4)
C43—C44—C45—C46	0.0 (11)	C52—C51—P1—C41	−43.3 (4)
C44—C45—C46—C41	−0.2 (9)	C56—C51—P1—C31	37.5 (5)
C42—C41—C46—C45	−0.7 (8)	C52—C51—P1—C31	−151.4 (4)
P1—C41—C46—C45	−179.8 (4)	C56—C51—P1—Ru1	−88.2 (4)
C56—C51—C52—C53	0.0 (7)	C52—C51—P1—Ru1	82.9 (4)
P1—C51—C52—C53	−171.3 (4)	C82—C81—P2—C71	134.0 (4)
C51—C52—C53—C54	0.2 (8)	C86—C81—P2—C71	−53.9 (4)
C52—C53—C54—C55	0.2 (8)	C82—C81—P2—C61	28.4 (5)
C53—C54—C55—C56	−0.7 (8)	C86—C81—P2—C61	−159.5 (4)
C54—C55—C56—C51	0.9 (8)	C82—C81—P2—Ru1	−97.8 (4)
C52—C51—C56—C55	−0.6 (7)	C86—C81—P2—Ru1	74.3 (4)
P1—C51—C56—C55	170.6 (4)	C72—C71—P2—C81	−22.3 (4)
C66—C61—C62—C63	1.0 (8)	C76—C71—P2—C81	162.4 (3)
P2—C61—C62—C63	−178.4 (4)	C72—C71—P2—C61	84.7 (4)
C61—C62—C63—C64	−2.1 (9)	C76—C71—P2—C61	−90.7 (4)
C62—C63—C64—C65	2.2 (10)	C72—C71—P2—Ru1	−147.2 (3)
C63—C64—C65—C66	−1.1 (9)	C76—C71—P2—Ru1	37.5 (4)
C62—C61—C66—C65	0.1 (8)	C66—C61—P2—C81	−111.4 (4)
P2—C61—C66—C65	179.5 (4)	C62—C61—P2—C81	67.9 (5)
C64—C65—C66—C61	−0.1 (8)	C66—C61—P2—C71	141.0 (4)
C76—C71—C72—C73	1.7 (7)	C62—C61—P2—C71	−39.7 (5)
P2—C71—C72—C73	−173.6 (4)	C66—C61—P2—Ru1	12.0 (5)
C71—C72—C73—C74	0.0 (8)	C62—C61—P2—Ru1	−168.6 (4)
C72—C73—C74—C75	−1.4 (8)

Carbonylhydrido(2,9-dimethyl-1,10-phenanthroline-κ²N,N)bis(triphenylphosphane-κP)ruthenium(II) hexafluoridophosphate (2_Ru29dmphen)

Crystal data

[RuH(C14H12N2)(C18H15P)2(CO)]PF6	Z = 2
Mr = 1007.85	F(000) = 1028
Triclinic, P1	Dx = 1.477 Mg m^−3
a = 11.7657 (15) Å	Mo Kα radiation, λ = 0.71073 Å
b = 14.1033 (16) Å	Cell parameters from 3608 reflections
c = 14.9728 (16) Å	θ = 1.9–26.2°
α = 94.141 (9)°	µ = 0.52 mm^−1
β = 97.381 (10)°	T = 298 K
γ = 111.957 (11)°	Prism, yellow
V = 2265.6 (5) Å^3	0.40 × 0.30 × 0.20 mm

Data collection

KM4 CCD four-circle diffractometer	4527 reflections with I > 2σ(I)
ω scans	Rint = 0.072
Absorption correction: multi-scan CrysAlis PRO (Rigaku OD, 2022)	θmax = 25.0°, θmin = 1.9°
Tmin = 0.282, Tmax = 1.000	h = −13→13
13599 measured reflections	k = −16→16
7976 independent reflections	l = −10→17

Refinement

Refinement on F^2	Primary atom site location: difference Fourier map
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.086	Hydrogen site location: mixed
wR(F^2) = 0.261	H atoms treated by a mixture of independent and constrained refinement
S = 0.99	w = 1/[σ^2(Fo^2) + (0.1275P)^2] where P = (Fo^2 + 2Fc^2)/3
7976 reflections	(Δ/σ)max = 0.001
617 parameters	Δρmax = 1.08 e Å^−3
11 restraints	Δρmin = −1.73 e Å^−3

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
C2	0.8550 (8)	0.2693 (8)	0.9055 (6)	0.084 (3)
C3	0.8169 (10)	0.1913 (10)	0.9590 (8)	0.113 (4)
H3	0.8098	0.2058	1.0191	0.169*
C4	0.7896 (10)	0.0906 (10)	0.9213 (9)	0.107 (4)
H4	0.7601	0.0376	0.9564	0.160*
C5	0.7829 (12)	−0.0317 (10)	0.7975 (11)	0.130 (5)
H5	0.7553	−0.0861	0.8315	0.195*
C6	0.8013 (12)	−0.0505 (8)	0.7119 (11)	0.130 (5)
H6	0.7896	−0.1173	0.6893	0.195*
C7	0.8586 (11)	0.0118 (9)	0.5679 (9)	0.115 (4)
H7	0.8507	−0.0533	0.5435	0.173*
C8	0.8903 (10)	0.0900 (8)	0.5182 (9)	0.110 (4)
H8	0.9036	0.0783	0.4592	0.164*
C9	0.9040 (9)	0.1898 (8)	0.5537 (6)	0.085 (2)
C11	0.8424 (7)	0.1507 (7)	0.7837 (6)	0.072 (2)
C12	0.8042 (8)	0.0670 (8)	0.8356 (8)	0.094 (3)
C13	0.8576 (7)	0.1277 (6)	0.6934 (6)	0.071 (2)
C14	0.8374 (9)	0.0275 (7)	0.6560 (8)	0.092 (3)
C15	0.9349 (10)	0.2737 (9)	0.4948 (7)	0.105 (3)
C16	0.8846 (10)	0.3790 (9)	0.9461 (7)	0.105 (3)
C21	0.9817 (8)	0.4526 (7)	0.6470 (6)	0.076 (2)
C31	0.7079 (7)	0.4713 (5)	0.6792 (5)	0.0592 (19)
C32	0.8032 (7)	0.5661 (6)	0.7093 (5)	0.0616 (19)
H32	0.8828	0.5695	0.7299	0.092*
C33	0.7818 (8)	0.6561 (6)	0.7090 (6)	0.074 (2)
H33	0.8468	0.7194	0.7292	0.111*
C34	0.6672 (8)	0.6520 (6)	0.6798 (6)	0.068 (2)
H34	0.6532	0.7127	0.6807	0.102*
C35	0.5720 (8)	0.5611 (6)	0.6491 (6)	0.072 (2)
H35	0.4929	0.5589	0.6289	0.107*
C36	0.5937 (7)	0.4706 (6)	0.6481 (6)	0.070 (2)
H36	0.5286	0.4080	0.6255	0.106*
C41	0.6205 (7)	0.2889 (6)	0.7578 (5)	0.065 (2)
C42	0.5830 (8)	0.3454 (8)	0.8198 (6)	0.086 (3)
H42	0.6098	0.4163	0.8195	0.129*
C43	0.5090 (10)	0.3012 (10)	0.8807 (7)	0.108 (4)
H43	0.4881	0.3418	0.9222	0.161*
C44	0.4669 (10)	0.1993 (11)	0.8802 (9)	0.116 (4)
H44	0.4140	0.1684	0.9201	0.174*
C45	0.5011 (10)	0.1389 (8)	0.8210 (9)	0.108 (4)
H45	0.4720	0.0680	0.8219	0.162*
C46	0.5773 (8)	0.1831 (7)	0.7612 (7)	0.088 (3)
H46	0.6007	0.1420	0.7222	0.132*
C51	0.6539 (7)	0.2869 (6)	0.5683 (5)	0.063 (2)
C52	0.5746 (12)	0.1861 (7)	0.5453 (8)	0.118 (4)
H52	0.5487	0.1457	0.5909	0.176*
C53	0.5309 (14)	0.1417 (10)	0.4532 (8)	0.160 (6)
H53	0.4775	0.0727	0.4388	0.239*
C54	0.5680 (12)	0.2012 (10)	0.3849 (7)	0.117 (4)
H54	0.5443	0.1718	0.3244	0.176*
C55	0.6365 (11)	0.2993 (9)	0.4063 (6)	0.100 (3)
H55	0.6569	0.3406	0.3604	0.149*
C56	0.6794 (9)	0.3430 (7)	0.4964 (6)	0.088 (3)
H56	0.7276	0.4133	0.5088	0.133*
C61	1.2521 (7)	0.5120 (5)	0.8065 (5)	0.0536 (17)
C62	1.3771 (7)	0.5296 (7)	0.8258 (6)	0.074 (2)
H62	1.4020	0.4744	0.8207	0.112*
C63	1.4653 (8)	0.6286 (7)	0.8525 (6)	0.083 (3)
H63	1.5488	0.6392	0.8672	0.125*
C64	1.4311 (9)	0.7095 (7)	0.8574 (6)	0.087 (3)
H64	1.4916	0.7755	0.8751	0.130*
C65	1.3107 (9)	0.6969 (7)	0.8373 (6)	0.080 (3)
H65	1.2883	0.7535	0.8403	0.121*
C66	1.2209 (8)	0.5979 (6)	0.8119 (5)	0.069 (2)
H66	1.1378	0.5887	0.7982	0.103*
C71	1.1591 (7)	0.3267 (5)	0.8818 (5)	0.0550 (17)
C72	1.1215 (6)	0.2204 (6)	0.8824 (5)	0.064 (2)
H72	1.0938	0.1765	0.8279	0.095*
C73	1.1250 (8)	0.1803 (7)	0.9630 (6)	0.080 (2)
H73	1.1008	0.1094	0.9622	0.119*
C74	1.1627 (9)	0.2413 (8)	1.0434 (6)	0.089 (3)
H74	1.1622	0.2124	1.0973	0.133*
C75	1.2028 (9)	0.3486 (7)	1.0455 (6)	0.087 (3)
H75	1.2304	0.3919	1.1005	0.130*
C76	1.2001 (8)	0.3885 (7)	0.9636 (5)	0.072 (2)
H76	1.2269	0.4596	0.9643	0.107*
C81	1.2082 (6)	0.3310 (5)	0.6933 (5)	0.0542 (17)
C82	1.2266 (8)	0.3852 (6)	0.6180 (5)	0.071 (2)
H82	1.2093	0.4442	0.6153	0.107*
C83	1.2711 (8)	0.3486 (7)	0.5479 (6)	0.074 (2)
H83	1.2821	0.3831	0.4970	0.110*
C84	1.2991 (8)	0.2646 (7)	0.5510 (6)	0.075 (2)
H84	1.3286	0.2411	0.5028	0.112*
C85	1.2839 (8)	0.2147 (7)	0.6252 (6)	0.078 (2)
H85	1.3031	0.1566	0.6277	0.117*
C86	1.2411 (8)	0.2480 (6)	0.6963 (6)	0.070 (2)
H86	1.2340	0.2138	0.7474	0.105*
N1	0.8664 (6)	0.2457 (5)	0.8176 (5)	0.0668 (17)
N10	0.8925 (5)	0.2092 (5)	0.6411 (4)	0.0609 (16)
O22	1.0206 (7)	0.5203 (5)	0.6043 (5)	0.103 (2)
P1	0.72708 (17)	0.34969 (14)	0.68176 (13)	0.0519 (5)
P2	1.13706 (17)	0.37999 (14)	0.77680 (12)	0.0500 (5)
Ru1	0.92908 (5)	0.35620 (4)	0.72447 (4)	0.0539 (3)
H1	0.945 (6)	0.449 (6)	0.808 (5)	0.081*
F1	0.0308 (6)	−0.1197 (6)	0.6978 (5)	0.139 (2)
F2	0.2466 (6)	−0.0653 (6)	0.8621 (5)	0.138 (3)
F3A	0.036 (2)	−0.090 (3)	0.8474 (15)	0.126 (7)	0.55 (4)
F4A	0.095 (3)	−0.189 (2)	0.821 (2)	0.174 (12)	0.55 (4)
F5A	0.224 (3)	−0.112 (3)	0.724 (2)	0.201 (15)	0.55 (4)
F6A	0.1867 (19)	0.0264 (14)	0.7637 (14)	0.117 (7)	0.55 (4)
F3B	0.057 (4)	−0.066 (5)	0.830 (3)	0.23 (2)	0.45 (4)
F4B	0.100 (2)	−0.2083 (13)	0.775 (3)	0.181 (17)	0.45 (4)
F5B	0.230 (2)	−0.074 (4)	0.716 (2)	0.19 (2)	0.45 (4)
F6B	0.154 (3)	0.014 (2)	0.796 (4)	0.24 (2)	0.45 (4)
P3	0.1392 (3)	−0.0890 (2)	0.78075 (19)	0.0864 (8)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C2	0.084 (6)	0.102 (6)	0.064 (6)	0.031 (6)	0.014 (5)	0.032 (5)
C3	0.100 (8)	0.132 (10)	0.100 (8)	0.026 (8)	0.023 (6)	0.065 (8)
C4	0.089 (7)	0.113 (9)	0.121 (8)	0.027 (7)	0.021 (7)	0.090 (8)
C5	0.117 (9)	0.081 (9)	0.192 (13)	0.030 (7)	0.016 (10)	0.083 (10)
C6	0.128 (10)	0.048 (6)	0.199 (13)	0.025 (6)	−0.006 (11)	0.037 (9)
C7	0.132 (10)	0.078 (7)	0.125 (9)	0.044 (7)	−0.004 (8)	−0.029 (7)
C8	0.121 (9)	0.076 (7)	0.120 (9)	0.034 (7)	0.007 (7)	−0.018 (7)
C9	0.085 (6)	0.096 (7)	0.074 (5)	0.043 (5)	0.002 (5)	−0.001 (5)
C11	0.055 (5)	0.061 (5)	0.094 (7)	0.014 (4)	0.009 (4)	0.040 (5)
C12	0.071 (6)	0.093 (8)	0.120 (7)	0.023 (5)	0.020 (6)	0.067 (7)
C13	0.067 (5)	0.047 (4)	0.096 (7)	0.025 (4)	−0.007 (5)	0.018 (4)
C14	0.091 (7)	0.048 (5)	0.132 (8)	0.028 (5)	0.000 (6)	0.013 (5)
C15	0.095 (7)	0.139 (9)	0.072 (6)	0.030 (7)	0.020 (5)	0.035 (6)
C16	0.125 (9)	0.126 (8)	0.071 (6)	0.058 (7)	0.021 (6)	−0.009 (6)
C21	0.091 (6)	0.066 (5)	0.074 (6)	0.030 (5)	0.014 (5)	0.025 (5)
C31	0.058 (5)	0.053 (4)	0.070 (5)	0.023 (4)	0.004 (4)	0.027 (4)
C32	0.068 (5)	0.050 (4)	0.069 (5)	0.023 (4)	0.012 (4)	0.023 (4)
C33	0.088 (6)	0.045 (4)	0.080 (6)	0.013 (4)	0.012 (5)	0.019 (4)
C34	0.078 (6)	0.049 (5)	0.088 (6)	0.032 (4)	0.021 (5)	0.029 (4)
C35	0.075 (5)	0.059 (5)	0.094 (6)	0.036 (4)	0.018 (5)	0.029 (5)
C36	0.062 (5)	0.050 (5)	0.093 (6)	0.013 (4)	0.016 (5)	0.020 (4)
C41	0.056 (5)	0.067 (5)	0.066 (5)	0.015 (4)	0.006 (4)	0.026 (4)
C42	0.087 (6)	0.091 (7)	0.076 (6)	0.025 (5)	0.021 (5)	0.028 (5)
C43	0.118 (9)	0.136 (9)	0.086 (7)	0.053 (8)	0.047 (6)	0.050 (7)
C44	0.083 (7)	0.158 (10)	0.115 (9)	0.036 (8)	0.039 (7)	0.088 (9)
C45	0.093 (8)	0.085 (7)	0.130 (10)	0.009 (6)	0.017 (7)	0.056 (7)
C46	0.078 (6)	0.060 (5)	0.115 (8)	0.006 (4)	0.021 (5)	0.049 (5)
C51	0.065 (5)	0.051 (4)	0.071 (5)	0.022 (4)	0.006 (4)	0.016 (4)
C52	0.164 (11)	0.064 (6)	0.091 (8)	0.012 (7)	0.001 (7)	0.013 (6)
C53	0.245 (18)	0.090 (9)	0.075 (8)	0.003 (9)	0.003 (9)	−0.031 (7)
C54	0.149 (11)	0.114 (10)	0.070 (7)	0.051 (9)	−0.030 (7)	−0.025 (7)
C55	0.141 (9)	0.112 (8)	0.062 (6)	0.074 (8)	−0.006 (6)	0.013 (6)
C56	0.111 (7)	0.079 (6)	0.069 (6)	0.035 (6)	−0.006 (5)	0.021 (5)
C61	0.059 (5)	0.042 (4)	0.059 (4)	0.019 (3)	0.006 (3)	0.013 (3)
C62	0.054 (5)	0.077 (6)	0.089 (6)	0.017 (4)	0.019 (4)	0.019 (5)
C63	0.048 (5)	0.077 (6)	0.098 (7)	0.001 (5)	−0.004 (4)	0.008 (5)
C64	0.093 (7)	0.065 (6)	0.085 (6)	0.012 (5)	0.010 (5)	0.015 (5)
C65	0.090 (7)	0.056 (5)	0.087 (6)	0.020 (5)	0.015 (5)	0.002 (5)
C66	0.077 (5)	0.062 (5)	0.064 (5)	0.022 (4)	0.011 (4)	0.014 (4)
C71	0.059 (4)	0.049 (4)	0.055 (4)	0.018 (3)	0.005 (3)	0.012 (3)
C72	0.055 (4)	0.068 (5)	0.070 (5)	0.023 (4)	0.008 (4)	0.032 (4)
C73	0.099 (7)	0.060 (5)	0.082 (6)	0.032 (5)	0.007 (5)	0.023 (4)
C74	0.101 (7)	0.099 (7)	0.073 (5)	0.044 (6)	0.007 (5)	0.038 (5)
C75	0.107 (7)	0.089 (7)	0.063 (5)	0.038 (6)	0.006 (5)	0.020 (5)
C76	0.084 (6)	0.079 (6)	0.055 (5)	0.031 (5)	0.010 (4)	0.030 (4)
C81	0.055 (4)	0.049 (4)	0.059 (4)	0.020 (3)	0.004 (3)	0.019 (3)
C82	0.093 (6)	0.074 (5)	0.058 (5)	0.042 (5)	0.015 (4)	0.019 (4)
C83	0.081 (6)	0.083 (6)	0.059 (5)	0.029 (5)	0.025 (4)	0.012 (4)
C84	0.075 (6)	0.071 (5)	0.080 (6)	0.030 (5)	0.019 (5)	0.000 (5)
C85	0.080 (6)	0.067 (6)	0.093 (7)	0.036 (5)	0.017 (5)	0.003 (5)
C86	0.083 (6)	0.057 (5)	0.076 (5)	0.031 (4)	0.017 (4)	0.022 (4)
N1	0.066 (4)	0.063 (4)	0.068 (4)	0.019 (4)	0.010 (3)	0.024 (4)
N10	0.060 (4)	0.065 (4)	0.058 (4)	0.025 (3)	0.005 (3)	0.014 (3)
O22	0.130 (6)	0.090 (5)	0.098 (5)	0.042 (4)	0.031 (4)	0.054 (4)
P1	0.0520 (11)	0.0431 (10)	0.0599 (11)	0.0171 (9)	0.0049 (9)	0.0184 (9)
P2	0.0541 (11)	0.0488 (10)	0.0496 (10)	0.0214 (9)	0.0069 (8)	0.0177 (8)
Ru1	0.0589 (4)	0.0453 (4)	0.0574 (4)	0.0185 (3)	0.0081 (3)	0.0182 (3)
F1	0.121 (5)	0.161 (6)	0.116 (5)	0.038 (5)	−0.003 (4)	0.029 (5)
F2	0.123 (5)	0.138 (6)	0.108 (5)	0.003 (4)	−0.007 (4)	0.046 (4)
F3A	0.103 (11)	0.175 (17)	0.100 (10)	0.040 (11)	0.036 (9)	0.060 (11)
F4A	0.21 (2)	0.14 (2)	0.18 (2)	0.050 (16)	0.047 (15)	0.128 (17)
F5A	0.25 (3)	0.29 (3)	0.16 (2)	0.21 (3)	0.043 (17)	0.000 (19)
F6A	0.113 (11)	0.079 (9)	0.165 (14)	0.023 (8)	0.046 (11)	0.086 (9)
F3B	0.20 (3)	0.23 (4)	0.28 (4)	0.08 (3)	0.18 (3)	0.05 (3)
F4B	0.104 (15)	0.024 (8)	0.36 (4)	0.005 (8)	−0.05 (2)	−0.027 (15)
F5B	0.064 (12)	0.36 (5)	0.101 (17)	0.042 (18)	0.028 (10)	0.03 (2)
F6B	0.25 (3)	0.058 (14)	0.44 (5)	0.038 (14)	0.23 (4)	0.035 (19)
P3	0.0987 (19)	0.0701 (17)	0.0870 (17)	0.0267 (15)	0.0132 (15)	0.0268 (14)

Geometric parameters (Å, º)

C2—N1	1.370 (10)	C54—H54	0.9300
C2—C3	1.379 (13)	C55—C56	1.388 (13)
C2—C16	1.514 (13)	C55—H55	0.9300
C3—C4	1.391 (15)	C56—H56	0.9300
C3—H3	0.9300	C61—C62	1.383 (10)
C4—C12	1.351 (15)	C61—C66	1.391 (10)
C4—H4	0.9300	C61—P2	1.826 (7)
C5—C6	1.351 (18)	C62—C63	1.384 (11)
C5—C12	1.384 (16)	C62—H62	0.9300
C5—H5	0.9300	C63—C64	1.345 (12)
C6—C14	1.402 (15)	C63—H63	0.9300
C6—H6	0.9300	C64—C65	1.350 (12)
C7—C8	1.338 (16)	C64—H64	0.9300
C7—C14	1.391 (15)	C65—C66	1.388 (11)
C7—H7	0.9300	C65—H65	0.9300
C8—C9	1.411 (12)	C66—H66	0.9300
C8—H8	0.9300	C71—C76	1.368 (10)
C9—N10	1.352 (10)	C71—C72	1.396 (10)
C9—C15	1.490 (13)	C71—P2	1.821 (7)
C11—N1	1.309 (10)	C72—C73	1.372 (11)
C11—C13	1.416 (12)	C72—H72	0.9300
C11—C12	1.422 (11)	C73—C74	1.346 (12)
C13—N10	1.401 (10)	C73—H73	0.9300
C13—C14	1.402 (11)	C74—C75	1.403 (12)
C21—O22	1.169 (9)	C74—H74	0.9300
C21—Ru1	1.834 (9)	C75—C76	1.388 (11)
C31—C36	1.360 (10)	C75—H75	0.9300
C31—C32	1.382 (10)	C76—H76	0.9300
C31—P1	1.814 (7)	C81—C86	1.366 (9)
C32—C33	1.383 (10)	C81—C82	1.402 (10)
C32—H32	0.9300	C81—P2	1.822 (7)
C33—C34	1.341 (11)	C82—C83	1.380 (10)
C33—H33	0.9300	C82—H82	0.9300
C34—C35	1.348 (11)	C83—C84	1.346 (11)
C34—H34	0.9300	C83—H83	0.9300
C35—C36	1.392 (10)	C84—C85	1.353 (12)
C35—H35	0.9300	C84—H84	0.9300
C36—H36	0.9300	C85—C86	1.360 (11)
C41—C42	1.397 (12)	C85—H85	0.9300
C41—C46	1.391 (11)	C86—H86	0.9300
C41—P1	1.819 (8)	N1—Ru1	2.153 (6)
C42—C43	1.363 (12)	N10—Ru1	2.206 (6)
C42—H42	0.9300	P1—Ru1	2.3461 (19)
C43—C44	1.334 (15)	P2—Ru1	2.3601 (19)
C43—H43	0.9300	Ru1—H1	1.69 (7)
C44—C45	1.381 (15)	F1—P3	1.569 (7)
C44—H44	0.9300	F2—P3	1.556 (7)
C45—C46	1.366 (13)	F3A—P3	1.66 (3)
C45—H45	0.9300	F3A—F4A	1.81 (5)
C46—H46	0.9300	F4A—P3	1.510 (17)
C51—C52	1.366 (11)	F5A—P3	1.50 (2)
C51—C56	1.380 (11)	F6A—P3	1.563 (15)
C51—P1	1.802 (8)	F3B—P3	1.40 (3)
C52—C53	1.418 (14)	F3B—F6B	1.45 (7)
C52—H52	0.9300	F4B—P3	1.562 (19)
C53—C54	1.380 (16)	F5B—P3	1.50 (3)
C53—H53	0.9300	F6B—P3	1.40 (3)
C54—C55	1.304 (13)
N1—C2—C3	119.3 (10)	C61—C66—C65	121.7 (8)
N1—C2—C16	121.8 (8)	C61—C66—H66	119.2
C3—C2—C16	118.9 (10)	C65—C66—H66	119.2
C2—C3—C4	118.7 (11)	C76—C71—C72	117.9 (7)
C2—C3—H3	120.6	C76—C71—P2	120.8 (6)
C4—C3—H3	120.6	C72—C71—P2	121.0 (6)
C12—C4—C3	122.4 (9)	C73—C72—C71	120.5 (8)
C12—C4—H4	118.8	C73—C72—H72	119.8
C3—C4—H4	118.8	C71—C72—H72	119.8
C6—C5—C12	121.2 (11)	C74—C73—C72	121.4 (8)
C6—C5—H5	119.4	C74—C73—H73	119.3
C12—C5—H5	119.4	C72—C73—H73	119.3
C5—C6—C14	122.0 (12)	C73—C74—C75	119.8 (9)
C5—C6—H6	119.0	C73—C74—H74	120.1
C14—C6—H6	119.0	C75—C74—H74	120.1
C8—C7—C14	120.3 (10)	C76—C75—C74	118.3 (9)
C8—C7—H7	119.9	C76—C75—H75	120.9
C14—C7—H7	119.9	C74—C75—H75	120.9
C7—C8—C9	121.2 (11)	C71—C76—C75	122.1 (8)
C7—C8—H8	119.4	C71—C76—H76	119.0
C9—C8—H8	119.4	C75—C76—H76	119.0
N10—C9—C8	119.9 (10)	C86—C81—C82	118.8 (7)
N10—C9—C15	120.7 (9)	C86—C81—P2	127.0 (6)
C8—C9—C15	119.4 (10)	C82—C81—P2	114.2 (5)
N1—C11—C13	120.6 (7)	C83—C82—C81	118.2 (8)
N1—C11—C12	122.2 (10)	C83—C82—H82	120.9
C13—C11—C12	117.1 (9)	C81—C82—H82	120.9
C4—C12—C5	123.7 (11)	C84—C83—C82	122.0 (8)
C4—C12—C11	116.1 (10)	C84—C83—H83	119.0
C5—C12—C11	120.2 (11)	C82—C83—H83	119.0
N10—C13—C14	120.3 (9)	C85—C84—C83	119.1 (8)
N10—C13—C11	117.5 (7)	C85—C84—H84	120.5
C14—C13—C11	122.2 (8)	C83—C84—H84	120.5
C6—C14—C7	123.9 (11)	C84—C85—C86	121.2 (8)
C6—C14—C13	117.3 (11)	C84—C85—H85	119.4
C7—C14—C13	118.8 (10)	C86—C85—H85	119.4
O22—C21—Ru1	174.0 (8)	C81—C86—C85	120.6 (8)
C36—C31—C32	117.3 (7)	C81—C86—H86	119.7
C36—C31—P1	119.1 (6)	C85—C86—H86	119.7
C32—C31—P1	123.5 (6)	C11—N1—C2	121.2 (8)
C31—C32—C33	120.9 (7)	C11—N1—Ru1	113.8 (5)
C31—C32—H32	119.6	C2—N1—Ru1	125.0 (6)
C33—C32—H32	119.6	C9—N10—C13	119.3 (7)
C34—C33—C32	120.0 (8)	C9—N10—Ru1	130.4 (6)
C34—C33—H33	120.0	C13—N10—Ru1	110.2 (5)
C32—C33—H33	120.0	C51—P1—C31	101.1 (3)
C33—C34—C35	120.9 (7)	C51—P1—C41	107.2 (4)
C33—C34—H34	119.5	C31—P1—C41	100.8 (4)
C35—C34—H34	119.5	C51—P1—Ru1	114.5 (3)
C34—C35—C36	119.2 (8)	C31—P1—Ru1	117.6 (2)
C34—C35—H35	120.4	C41—P1—Ru1	114.0 (3)
C36—C35—H35	120.4	C81—P2—C71	108.4 (3)
C31—C36—C35	121.7 (7)	C81—P2—C61	100.1 (3)
C31—C36—H36	119.2	C71—P2—C61	100.8 (3)
C35—C36—H36	119.2	C81—P2—Ru1	113.9 (2)
C42—C41—C46	116.0 (8)	C71—P2—Ru1	114.1 (2)
C42—C41—P1	122.5 (6)	C61—P2—Ru1	118.0 (2)
C46—C41—P1	121.4 (7)	C21—Ru1—N1	178.6 (3)
C43—C42—C41	122.9 (10)	C21—Ru1—N10	103.6 (3)
C43—C42—H42	118.5	N1—Ru1—N10	77.7 (2)
C41—C42—H42	118.5	C21—Ru1—P1	88.3 (3)
C44—C43—C42	119.2 (11)	N1—Ru1—P1	91.18 (18)
C44—C43—H43	120.4	N10—Ru1—P1	94.07 (16)
C42—C43—H43	120.4	C21—Ru1—P2	90.1 (3)
C43—C44—C45	120.8 (11)	N1—Ru1—P2	90.29 (18)
C43—C44—H44	119.6	N10—Ru1—P2	92.11 (16)
C45—C44—H44	119.6	P1—Ru1—P2	173.82 (7)
C46—C45—C44	120.2 (10)	C21—Ru1—H1	91 (3)
C46—C45—H45	119.9	N1—Ru1—H1	88 (3)
C44—C45—H45	119.9	N10—Ru1—H1	165 (3)
C45—C46—C41	120.8 (10)	P1—Ru1—H1	86 (2)
C45—C46—H46	119.6	P2—Ru1—H1	88 (2)
C41—C46—H46	119.6	P3—F3A—F4A	51.3 (11)
C52—C51—C56	115.2 (8)	P3—F4A—F3A	59.2 (14)
C52—C51—P1	125.9 (7)	P3—F3B—F6B	58.5 (19)
C56—C51—P1	118.8 (6)	P3—F6B—F3B	59 (2)
C51—C52—C53	121.4 (10)	F6B—P3—F3B	63 (3)
C51—C52—H52	119.3	F6B—P3—F5B	96 (2)
C53—C52—H52	119.3	F3B—P3—F5B	157 (4)
C54—C53—C52	119.7 (11)	F4A—P3—F5A	98.1 (18)
C54—C53—H53	120.1	F4A—P3—F6A	165.7 (14)
C52—C53—H53	120.1	F5A—P3—F6A	92.5 (18)
C55—C54—C53	119.2 (10)	F6B—P3—F2	87.7 (19)
C55—C54—H54	120.4	F3B—P3—F2	97 (2)
C53—C54—H54	120.4	F4A—P3—F2	79.5 (11)
C54—C55—C56	121.1 (10)	F5B—P3—F2	89.9 (13)
C54—C55—H55	119.5	F5A—P3—F2	85.5 (15)
C56—C55—H55	119.5	F6A—P3—F2	92.0 (7)
C55—C56—C51	123.0 (9)	F6B—P3—F1	96 (2)
C55—C56—H56	118.5	F3B—P3—F1	85 (2)
C51—C56—H56	118.5	F4A—P3—F1	97.8 (12)
C62—C61—C66	117.1 (7)	F5B—P3—F1	89.5 (12)
C62—C61—P2	119.7 (6)	F5A—P3—F1	92.7 (15)
C66—C61—P2	123.2 (6)	F6A—P3—F1	91.1 (8)
C61—C62—C63	120.6 (8)	F2—P3—F1	176.5 (5)
C61—C62—H62	119.7	F6B—P3—F4B	168.3 (18)
C63—C62—H62	119.7	F3B—P3—F4B	106 (3)
C64—C63—C62	120.4 (8)	F5B—P3—F4B	95 (2)
C64—C63—H63	119.8	F2—P3—F4B	93.9 (13)
C62—C63—H63	119.8	F1—P3—F4B	82.7 (13)
C63—C64—C65	121.4 (9)	F4A—P3—F3A	69.5 (18)
C63—C64—H64	119.3	F5A—P3—F3A	167 (2)
C65—C64—H64	119.3	F6A—P3—F3A	100.0 (16)
C64—C65—C66	118.8 (9)	F2—P3—F3A	93.5 (8)
C64—C65—H65	120.6	F1—P3—F3A	87.6 (8)
C66—C65—H65	120.6
N1—C2—C3—C4	−1.0 (15)	C82—C81—C86—C85	−3.9 (12)
C16—C2—C3—C4	179.9 (10)	P2—C81—C86—C85	174.4 (7)
C2—C3—C4—C12	3.1 (17)	C84—C85—C86—C81	2.2 (14)
C12—C5—C6—C14	−3 (2)	C13—C11—N1—C2	−178.4 (7)
C14—C7—C8—C9	0.5 (19)	C12—C11—N1—C2	−0.4 (13)
C7—C8—C9—N10	4.1 (16)	C13—C11—N1—Ru1	−0.3 (10)
C7—C8—C9—C15	−177.8 (11)	C12—C11—N1—Ru1	177.7 (6)
C3—C4—C12—C5	177.2 (11)	C3—C2—N1—C11	−0.3 (13)
C3—C4—C12—C11	−3.7 (16)	C16—C2—N1—C11	178.9 (8)
C6—C5—C12—C4	−178.8 (12)	C3—C2—N1—Ru1	−178.2 (7)
C6—C5—C12—C11	2 (2)	C16—C2—N1—Ru1	1.0 (12)
N1—C11—C12—C4	2.4 (13)	C8—C9—N10—C13	−4.9 (12)
C13—C11—C12—C4	−179.6 (9)	C15—C9—N10—C13	177.0 (8)
N1—C11—C12—C5	−178.4 (10)	C8—C9—N10—Ru1	171.8 (7)
C13—C11—C12—C5	−0.4 (14)	C15—C9—N10—Ru1	−6.3 (12)
N1—C11—C13—N10	−3.3 (12)	C14—C13—N10—C9	1.4 (12)
C12—C11—C13—N10	178.6 (7)	C11—C13—N10—C9	−177.8 (7)
N1—C11—C13—C14	177.5 (8)	C14—C13—N10—Ru1	−175.9 (7)
C12—C11—C13—C14	−0.6 (13)	C11—C13—N10—Ru1	4.9 (8)
C5—C6—C14—C7	179.3 (13)	C52—C51—P1—C31	−136.7 (9)
C5—C6—C14—C13	1.8 (19)	C56—C51—P1—C31	44.2 (7)
C8—C7—C14—C6	178.5 (12)	C52—C51—P1—C41	−31.7 (10)
C8—C7—C14—C13	−4.0 (17)	C56—C51—P1—C41	149.3 (7)
N10—C13—C14—C6	−179.3 (9)	C52—C51—P1—Ru1	95.9 (9)
C11—C13—C14—C6	−0.1 (14)	C56—C51—P1—Ru1	−83.2 (7)
N10—C13—C14—C7	3.1 (14)	C36—C31—P1—C51	49.5 (7)
C11—C13—C14—C7	−177.7 (9)	C32—C31—P1—C51	−131.9 (7)
C36—C31—C32—C33	1.2 (12)	C36—C31—P1—C41	−60.5 (7)
P1—C31—C32—C33	−177.4 (6)	C32—C31—P1—C41	118.0 (7)
C31—C32—C33—C34	0.3 (12)	C36—C31—P1—Ru1	175.0 (6)
C32—C33—C34—C35	−1.0 (13)	C32—C31—P1—Ru1	−6.5 (8)
C33—C34—C35—C36	0.1 (13)	C42—C41—P1—C51	−127.3 (7)
C32—C31—C36—C35	−2.2 (12)	C46—C41—P1—C51	56.6 (8)
P1—C31—C36—C35	176.5 (6)	C42—C41—P1—C31	−22.0 (8)
C34—C35—C36—C31	1.6 (13)	C46—C41—P1—C31	161.9 (7)
C46—C41—C42—C43	0.2 (14)	C42—C41—P1—Ru1	104.8 (7)
P1—C41—C42—C43	−176.0 (8)	C46—C41—P1—Ru1	−71.2 (7)
C41—C42—C43—C44	−2.0 (17)	C86—C81—P2—C71	17.3 (8)
C42—C43—C44—C45	2.3 (19)	C82—C81—P2—C71	−164.4 (6)
C43—C44—C45—C46	−0.9 (19)	C86—C81—P2—C61	122.3 (7)
C44—C45—C46—C41	−0.9 (17)	C82—C81—P2—C61	−59.4 (6)
C42—C41—C46—C45	1.2 (14)	C86—C81—P2—Ru1	−110.8 (7)
P1—C41—C46—C45	177.5 (8)	C82—C81—P2—Ru1	67.4 (6)
C56—C51—C52—C53	5.0 (17)	C76—C71—P2—C81	133.2 (7)
P1—C51—C52—C53	−174.1 (10)	C72—C71—P2—C81	−54.2 (7)
C51—C52—C53—C54	−1 (2)	C76—C71—P2—C61	28.7 (7)
C52—C53—C54—C55	−4 (2)	C72—C71—P2—C61	−158.7 (6)
C53—C54—C55—C56	4 (2)	C76—C71—P2—Ru1	−98.8 (6)
C54—C55—C56—C51	0.4 (17)	C72—C71—P2—Ru1	73.8 (6)
C52—C51—C56—C55	−5.0 (15)	C62—C61—P2—C81	−47.4 (7)
P1—C51—C56—C55	174.1 (8)	C66—C61—P2—C81	133.3 (6)
C66—C61—C62—C63	2.4 (12)	C62—C61—P2—C71	63.7 (7)
P2—C61—C62—C63	−177.0 (7)	C66—C61—P2—C71	−115.6 (7)
C61—C62—C63—C64	−2.1 (14)	C62—C61—P2—Ru1	−171.4 (5)
C62—C63—C64—C65	0.5 (15)	C66—C61—P2—Ru1	9.3 (7)
C63—C64—C65—C66	0.7 (15)	F3B—F6B—P3—F5B	171 (3)
C62—C61—C66—C65	−1.2 (11)	F3B—F6B—P3—F2	−99 (3)
P2—C61—C66—C65	178.1 (7)	F3B—F6B—P3—F1	81 (3)
C64—C65—C66—C61	−0.3 (13)	F3B—F6B—P3—F4B	−1 (12)
C76—C71—C72—C73	0.5 (12)	F6B—F3B—P3—F5B	−24 (7)
P2—C71—C72—C73	−172.3 (6)	F6B—F3B—P3—F2	84 (3)
C71—C72—C73—C74	1.0 (13)	F6B—F3B—P3—F1	−99 (3)
C72—C73—C74—C75	−1.8 (15)	F6B—F3B—P3—F4B	180 (2)
C73—C74—C75—C76	1.1 (15)	F3A—F4A—P3—F5A	−178.4 (18)
C72—C71—C76—C75	−1.2 (12)	F3A—F4A—P3—F6A	44 (6)
P2—C71—C76—C75	171.6 (7)	F3A—F4A—P3—F2	97.8 (11)
C74—C75—C76—C71	0.4 (14)	F3A—F4A—P3—F1	−84.4 (11)
C86—C81—C82—C83	3.4 (12)	F4A—F3A—P3—F5A	8 (8)
P2—C81—C82—C83	−175.1 (6)	F4A—F3A—P3—F6A	−170.0 (15)
C81—C82—C83—C84	−1.3 (13)	F4A—F3A—P3—F2	−77.4 (13)
C82—C83—C84—C85	−0.4 (14)	F4A—F3A—P3—F1	99.3 (13)
C83—C84—C85—C86	0.0 (14)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
C86—H86···F6A^i	0.93	2.53	3.21 (3)	131

Symmetry code: (i) x−1, y+1, z.

Carbonylhydrido(4,7-dimethyl-1,10-phenanthroline-κ²N,N)bis(triphenylphosphane-κP)ruthenium(II) hexafluoridophosphate (3_Ru47dmphen)

Crystal data

[RuH(C14H12N2)(C18H15P)2(CO)]PF6	F(000) = 2056
Mr = 1007.85	Dx = 1.261 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
a = 14.9624 (8) Å	Cell parameters from 6785 reflections
b = 21.9572 (7) Å	θ = 2.3–27.8°
c = 17.1148 (9) Å	µ = 0.44 mm^−1
β = 109.266 (6)°	T = 298 K
V = 5307.9 (5) Å^3	Needle, yellow
Z = 4	0.40 × 0.10 × 0.10 mm

Data collection

KM4 CCD four-circle diffractometer	8859 reflections with I > 2σ(I)
ω scans	Rint = 0.034
Absorption correction: multi-scan CrysAlis PRO (Rigaku OD, 2022)	θmax = 28.8°, θmin = 2.4°
Tmin = 0.698, Tmax = 1.000	h = −17→20
25375 measured reflections	k = −27→15
11913 independent reflections	l = −21→12

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: mixed
R[F^2 > 2σ(F^2)] = 0.047	H atoms treated by a mixture of independent and constrained refinement
wR(F^2) = 0.125	w = 1/[σ^2(Fo^2) + (0.053P)^2 + 3.0506P] where P = (Fo^2 + 2Fc^2)/3
S = 1.04	(Δ/σ)max = 0.005
11913 reflections	Δρmax = 0.46 e Å^−3
638 parameters	Δρmin = −0.70 e Å^−3
0 restraints	Extinction correction: SHELXL2014 (Sheldrick, 2015), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: difference Fourier map	Extinction coefficient: 0.00095 (16)

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
C2	0.6306 (3)	0.95356 (14)	0.6932 (2)	0.0434 (8)
H2	0.5689	0.9658	0.6648	0.065*
C3	0.6549 (3)	0.89272 (15)	0.6880 (2)	0.0545 (9)
H3	0.6095	0.8656	0.6565	0.082*
C4	0.7449 (3)	0.87249 (14)	0.7287 (2)	0.0544 (10)
C5	0.9100 (3)	0.90216 (18)	0.8180 (3)	0.0668 (11)
H5	0.9315	0.8625	0.8171	0.100*
C6	0.9716 (3)	0.9449 (2)	0.8596 (3)	0.0704 (12)
H6	1.0346	0.9342	0.8856	0.106*
C7	1.0036 (3)	1.0536 (2)	0.9102 (3)	0.0632 (11)
C8	0.9646 (3)	1.1091 (2)	0.9139 (3)	0.0651 (11)
H7	1.0024	1.1401	0.9448	0.098*
C9	0.8699 (3)	1.12020 (16)	0.8728 (2)	0.0523 (9)
H8	0.8463	1.1588	0.8771	0.079*
C11	0.7819 (2)	0.97623 (13)	0.77764 (18)	0.0347 (7)
C12	0.8123 (3)	0.91566 (14)	0.7747 (2)	0.0468 (8)
C13	0.8468 (2)	1.02126 (14)	0.82465 (19)	0.0378 (7)
C14	0.9430 (2)	1.00649 (17)	0.8653 (2)	0.0529 (9)
C15	0.7709 (4)	0.80602 (17)	0.7250 (3)	0.0855 (15)
H15A	0.8272	0.8032	0.7100	0.128*
H15B	0.7200	0.7853	0.6843	0.128*
H15C	0.7820	0.7875	0.7781	0.128*
C16	1.1090 (3)	1.0424 (3)	0.9512 (3)	0.0959 (17)
H16A	1.1188	1.0025	0.9754	0.144*
H16B	1.1346	1.0723	0.9936	0.144*
H16C	1.1403	1.0454	0.9105	0.144*
C21	0.6408 (2)	1.17079 (14)	0.7579 (2)	0.0411 (7)
C31	0.6154 (2)	1.16004 (13)	0.55026 (19)	0.0366 (7)
C32	0.5323 (3)	1.18092 (16)	0.5588 (2)	0.0499 (9)
H32	0.5161	1.1696	0.6047	0.075*
C33	0.4720 (3)	1.21908 (18)	0.4986 (3)	0.0644 (11)
H33	0.4165	1.2335	0.5051	0.097*
C34	0.4946 (3)	1.23506 (17)	0.4310 (3)	0.0668 (12)
H34	0.4554	1.2614	0.3921	0.100*
C35	0.5746 (3)	1.2127 (2)	0.4195 (3)	0.0775 (13)
H35	0.5880	1.2222	0.3716	0.116*
C36	0.6356 (3)	1.17583 (19)	0.4792 (2)	0.0652 (11)
H36	0.6907	1.1615	0.4717	0.098*
C41	0.7001 (2)	1.04130 (13)	0.56639 (18)	0.0343 (7)
C42	0.6189 (2)	1.02333 (15)	0.5029 (2)	0.0465 (8)
H42	0.5660	1.0486	0.4871	0.070*
C43	0.6166 (3)	0.96814 (17)	0.4633 (2)	0.0611 (10)
H43	0.5621	0.9564	0.4211	0.092*
C44	0.6947 (3)	0.93030 (17)	0.4862 (3)	0.0635 (11)
H44	0.6928	0.8934	0.4591	0.095*
C45	0.7753 (3)	0.94729 (16)	0.5491 (2)	0.0561 (10)
H45	0.8278	0.9218	0.5649	0.084*
C46	0.7777 (2)	1.00257 (15)	0.5890 (2)	0.0444 (8)
H46	0.8322	1.0138	0.6316	0.067*
C51	0.8127 (2)	1.14734 (14)	0.6390 (2)	0.0405 (7)
C52	0.8669 (3)	1.13433 (18)	0.5882 (3)	0.0596 (10)
H52	0.8466	1.1046	0.5475	0.089*
C53	0.9504 (3)	1.1654 (2)	0.5983 (3)	0.0836 (15)
H53	0.9858	1.1569	0.5639	0.125*
C54	0.9816 (3)	1.2096 (2)	0.6604 (3)	0.0886 (15)
H54	1.0382	1.2300	0.6680	0.133*
C55	0.9288 (3)	1.2225 (2)	0.7094 (3)	0.0770 (13)
H55	0.9495	1.2518	0.7506	0.115*
C56	0.8442 (3)	1.19218 (17)	0.6983 (2)	0.0571 (10)
H56	0.8080	1.2023	0.7314	0.086*
C61	0.4765 (2)	1.09982 (13)	0.8378 (2)	0.0370 (7)
C62	0.4406 (3)	1.09980 (16)	0.9031 (2)	0.0504 (9)
H62	0.4773	1.0847	0.9544	0.076*
C63	0.3505 (3)	1.12205 (17)	0.8923 (3)	0.0580 (10)
H63	0.3273	1.1220	0.9364	0.087*
C64	0.2956 (3)	1.14410 (17)	0.8165 (3)	0.0610 (10)
H64	0.2347	1.1579	0.8093	0.091*
C65	0.3299 (3)	1.1458 (2)	0.7520 (2)	0.0643 (11)
H65	0.2929	1.1616	0.7012	0.096*
C66	0.4206 (3)	1.12390 (17)	0.7624 (2)	0.0546 (9)
H66	0.4439	1.1254	0.7184	0.082*
C71	0.5698 (2)	0.98395 (14)	0.8558 (2)	0.0417 (7)
C72	0.6455 (3)	0.94407 (16)	0.8883 (2)	0.0525 (9)
H72	0.7064	0.9595	0.9119	0.079*
C73	0.6311 (4)	0.88146 (19)	0.8860 (3)	0.0712 (13)
H73	0.6821	0.8553	0.9078	0.107*
C74	0.5419 (5)	0.85844 (19)	0.8515 (4)	0.0895 (17)
H74	0.5324	0.8165	0.8506	0.134*
C75	0.4665 (4)	0.8962 (2)	0.8184 (4)	0.0945 (17)
H75	0.4062	0.8800	0.7942	0.142*
C76	0.4801 (3)	0.95970 (17)	0.8211 (3)	0.0671 (11)
H76	0.4285	0.9855	0.7994	0.101*
C81	0.6623 (2)	1.08640 (16)	0.9578 (2)	0.0432 (8)
C82	0.7055 (3)	1.14312 (19)	0.9703 (2)	0.0678 (12)
H82	0.6991	1.1682	0.9251	0.102*
C83	0.7576 (4)	1.1630 (3)	1.0483 (3)	0.0946 (17)
H83	0.7844	1.2017	1.0557	0.142*
C84	0.7700 (4)	1.1253 (3)	1.1155 (3)	0.0896 (16)
H84	0.8072	1.1378	1.1681	0.134*
C85	0.7277 (4)	1.0696 (3)	1.1047 (2)	0.0790 (14)
H85	0.7353	1.0446	1.1503	0.119*
C86	0.6730 (3)	1.0495 (2)	1.0258 (2)	0.0601 (10)
H86	0.6439	1.0115	1.0192	0.090*
N1	0.69155 (18)	0.99485 (10)	0.73693 (15)	0.0346 (6)
N10	0.81008 (18)	1.07848 (11)	0.82722 (15)	0.0371 (6)
O22	0.6272 (2)	1.22248 (10)	0.76208 (17)	0.0680 (8)
P1	0.69874 (5)	1.11018 (3)	0.62658 (5)	0.03094 (17)
P2	0.59291 (6)	1.06547 (4)	0.85096 (5)	0.03407 (18)
Ru1	0.66288 (2)	1.08911 (2)	0.74858 (2)	0.02911 (9)
H1	0.559 (2)	1.0828 (13)	0.6853 (19)	0.044*
F1A	0.7415 (11)	0.7452 (7)	0.9251 (7)	0.143 (7)	0.417 (13)
F2A	0.8678 (16)	0.6928 (7)	1.0643 (14)	0.184 (8)	0.417 (13)
F3A	0.8615 (16)	0.6802 (6)	0.9676 (15)	0.137 (8)	0.417 (13)
F4A	0.9253 (13)	0.7423 (7)	1.0750 (11)	0.154 (6)	0.417 (13)
F5A	0.8087 (11)	0.8005 (7)	1.0323 (10)	0.136 (7)	0.417 (13)
F6A	0.884 (2)	0.7747 (7)	0.9477 (16)	0.245 (13)	0.417 (13)
F1B	0.7406 (6)	0.7402 (5)	0.9781 (14)	0.190 (7)	0.583 (13)
F2B	0.7976 (18)	0.6998 (6)	1.0504 (10)	0.191 (7)	0.583 (13)
F3B	0.8512 (11)	0.6990 (7)	0.9352 (10)	0.154 (6)	0.583 (13)
F4B	0.9575 (5)	0.7504 (4)	1.0301 (9)	0.109 (3)	0.583 (13)
F5B	0.8488 (12)	0.7939 (5)	1.0722 (10)	0.157 (6)	0.583 (13)
F6B	0.8476 (6)	0.8029 (5)	0.9477 (7)	0.137 (5)	0.583 (13)
P3	0.84264 (9)	0.74431 (5)	1.00104 (8)	0.0684 (3)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C2	0.050 (2)	0.0393 (16)	0.0372 (18)	−0.0093 (15)	0.0094 (15)	−0.0031 (14)
C3	0.074 (3)	0.0393 (17)	0.048 (2)	−0.0110 (19)	0.017 (2)	−0.0068 (16)
C4	0.081 (3)	0.0342 (17)	0.051 (2)	0.0028 (18)	0.026 (2)	−0.0002 (15)
C5	0.066 (3)	0.054 (2)	0.080 (3)	0.024 (2)	0.022 (2)	0.007 (2)
C6	0.044 (2)	0.074 (3)	0.088 (3)	0.026 (2)	0.014 (2)	0.011 (2)
C7	0.034 (2)	0.083 (3)	0.064 (3)	−0.006 (2)	0.0038 (18)	0.007 (2)
C8	0.039 (2)	0.067 (2)	0.072 (3)	−0.014 (2)	−0.0042 (19)	−0.006 (2)
C9	0.047 (2)	0.0465 (19)	0.053 (2)	−0.0104 (17)	0.0022 (17)	−0.0077 (16)
C11	0.0369 (17)	0.0342 (15)	0.0329 (16)	0.0055 (13)	0.0113 (13)	0.0030 (12)
C12	0.059 (2)	0.0404 (17)	0.0434 (19)	0.0076 (16)	0.0194 (17)	0.0052 (15)
C13	0.0337 (16)	0.0407 (16)	0.0371 (17)	0.0034 (14)	0.0092 (14)	0.0049 (13)
C14	0.0352 (19)	0.062 (2)	0.057 (2)	0.0055 (17)	0.0085 (16)	0.0057 (18)
C15	0.117 (4)	0.041 (2)	0.094 (4)	0.016 (2)	0.030 (3)	−0.007 (2)
C16	0.035 (2)	0.123 (4)	0.110 (4)	0.003 (3)	−0.002 (2)	0.012 (3)
C21	0.048 (2)	0.0417 (17)	0.0379 (18)	0.0023 (15)	0.0196 (15)	−0.0020 (14)
C31	0.0404 (18)	0.0329 (15)	0.0358 (17)	−0.0026 (14)	0.0115 (14)	0.0018 (13)
C32	0.054 (2)	0.054 (2)	0.0406 (19)	0.0106 (17)	0.0129 (17)	0.0040 (16)
C33	0.060 (3)	0.061 (2)	0.062 (3)	0.019 (2)	0.005 (2)	0.001 (2)
C34	0.077 (3)	0.046 (2)	0.058 (3)	0.000 (2)	−0.003 (2)	0.0185 (19)
C35	0.078 (3)	0.088 (3)	0.064 (3)	−0.004 (3)	0.020 (2)	0.039 (2)
C36	0.060 (3)	0.083 (3)	0.059 (3)	0.007 (2)	0.028 (2)	0.031 (2)
C41	0.0351 (16)	0.0387 (15)	0.0318 (16)	−0.0016 (13)	0.0149 (13)	−0.0027 (13)
C42	0.0396 (19)	0.0467 (18)	0.050 (2)	−0.0014 (16)	0.0105 (16)	−0.0087 (16)
C43	0.057 (2)	0.059 (2)	0.056 (2)	−0.003 (2)	0.0045 (19)	−0.0238 (19)
C44	0.076 (3)	0.049 (2)	0.066 (3)	0.001 (2)	0.024 (2)	−0.0223 (19)
C45	0.058 (2)	0.047 (2)	0.067 (3)	0.0116 (18)	0.025 (2)	−0.0082 (18)
C46	0.0393 (18)	0.0496 (18)	0.046 (2)	0.0022 (16)	0.0154 (15)	−0.0076 (15)
C51	0.0351 (17)	0.0449 (17)	0.0413 (18)	−0.0055 (14)	0.0124 (14)	0.0016 (14)
C52	0.048 (2)	0.070 (2)	0.071 (3)	−0.0180 (19)	0.033 (2)	−0.013 (2)
C53	0.059 (3)	0.102 (3)	0.106 (4)	−0.030 (3)	0.049 (3)	−0.017 (3)
C54	0.058 (3)	0.104 (4)	0.111 (4)	−0.043 (3)	0.038 (3)	−0.017 (3)
C55	0.073 (3)	0.079 (3)	0.080 (3)	−0.039 (3)	0.027 (3)	−0.019 (2)
C56	0.060 (2)	0.060 (2)	0.056 (2)	−0.0206 (19)	0.025 (2)	−0.0096 (18)
C61	0.0334 (16)	0.0394 (16)	0.0397 (17)	0.0029 (13)	0.0139 (14)	0.0005 (13)
C62	0.050 (2)	0.060 (2)	0.047 (2)	0.0056 (18)	0.0228 (17)	0.0118 (17)
C63	0.055 (2)	0.068 (2)	0.063 (3)	0.014 (2)	0.036 (2)	0.012 (2)
C64	0.043 (2)	0.064 (2)	0.084 (3)	0.0093 (19)	0.030 (2)	0.002 (2)
C65	0.051 (2)	0.083 (3)	0.055 (2)	0.024 (2)	0.0118 (19)	0.014 (2)
C66	0.047 (2)	0.075 (2)	0.043 (2)	0.0163 (19)	0.0165 (17)	0.0081 (18)
C71	0.0446 (19)	0.0428 (17)	0.0401 (18)	0.0033 (15)	0.0172 (15)	0.0066 (14)
C72	0.059 (2)	0.055 (2)	0.047 (2)	0.0130 (18)	0.0207 (18)	0.0155 (17)
C73	0.102 (4)	0.055 (2)	0.067 (3)	0.024 (3)	0.041 (3)	0.025 (2)
C74	0.127 (5)	0.042 (2)	0.124 (5)	−0.005 (3)	0.074 (4)	0.009 (3)
C75	0.086 (4)	0.060 (3)	0.149 (5)	−0.020 (3)	0.054 (4)	−0.010 (3)
C76	0.049 (2)	0.052 (2)	0.099 (3)	−0.0040 (19)	0.022 (2)	−0.001 (2)
C81	0.0366 (17)	0.060 (2)	0.0322 (17)	0.0038 (16)	0.0102 (14)	−0.0004 (15)
C82	0.084 (3)	0.076 (3)	0.036 (2)	−0.014 (2)	0.009 (2)	−0.0099 (19)
C83	0.115 (4)	0.111 (4)	0.049 (3)	−0.030 (3)	0.015 (3)	−0.026 (3)
C84	0.080 (3)	0.139 (5)	0.038 (2)	0.000 (3)	0.004 (2)	−0.019 (3)
C85	0.088 (3)	0.115 (4)	0.031 (2)	0.024 (3)	0.015 (2)	0.009 (2)
C86	0.060 (2)	0.084 (3)	0.035 (2)	0.012 (2)	0.0141 (18)	0.0105 (19)
N1	0.0413 (15)	0.0319 (12)	0.0305 (13)	−0.0010 (11)	0.0119 (11)	0.0004 (10)
N10	0.0315 (14)	0.0407 (14)	0.0343 (14)	−0.0012 (11)	0.0043 (11)	−0.0005 (11)
O22	0.106 (2)	0.0393 (14)	0.0653 (18)	0.0139 (14)	0.0368 (17)	−0.0063 (12)
P1	0.0305 (4)	0.0333 (4)	0.0304 (4)	−0.0016 (3)	0.0119 (3)	−0.0013 (3)
P2	0.0322 (4)	0.0408 (4)	0.0289 (4)	0.0017 (3)	0.0095 (3)	0.0033 (3)
Ru1	0.02960 (14)	0.03031 (13)	0.02647 (13)	−0.00028 (10)	0.00795 (9)	−0.00177 (9)
F1A	0.148 (12)	0.123 (9)	0.096 (8)	0.030 (8)	−0.043 (7)	−0.025 (6)
F2A	0.221 (18)	0.099 (8)	0.29 (2)	0.022 (11)	0.155 (16)	0.102 (12)
F3A	0.129 (11)	0.055 (5)	0.27 (2)	0.006 (5)	0.130 (14)	−0.006 (8)
F4A	0.107 (11)	0.161 (12)	0.142 (12)	0.011 (10)	−0.031 (9)	0.021 (10)
F5A	0.134 (9)	0.111 (8)	0.125 (10)	0.063 (7)	−0.010 (8)	−0.067 (7)
F6A	0.51 (4)	0.087 (9)	0.29 (2)	−0.044 (13)	0.35 (3)	−0.006 (10)
F1B	0.060 (5)	0.124 (7)	0.42 (2)	−0.014 (5)	0.123 (9)	−0.014 (13)
F2B	0.32 (2)	0.121 (8)	0.205 (11)	−0.085 (11)	0.191 (14)	−0.022 (7)
F3B	0.108 (7)	0.196 (13)	0.167 (10)	−0.030 (9)	0.056 (7)	−0.122 (10)
F4B	0.062 (4)	0.086 (5)	0.178 (9)	−0.005 (3)	0.039 (5)	−0.021 (5)
F5B	0.200 (12)	0.128 (8)	0.196 (12)	−0.045 (9)	0.139 (10)	−0.073 (8)
F6B	0.128 (6)	0.102 (6)	0.153 (9)	−0.026 (5)	0.007 (6)	0.055 (6)
P3	0.0694 (8)	0.0570 (6)	0.0908 (9)	0.0022 (6)	0.0424 (7)	0.0009 (6)

Geometric parameters (Å, º)

C2—N1	1.328 (4)	C53—H53	0.9300
C2—C3	1.395 (5)	C54—C55	1.359 (6)
C2—H2	0.9300	C54—H54	0.9300
C3—C4	1.370 (5)	C55—C56	1.386 (5)
C3—H3	0.9300	C55—H55	0.9300
C4—C12	1.419 (5)	C56—H56	0.9300
C4—C15	1.517 (5)	C61—C66	1.390 (4)
C5—C6	1.343 (6)	C61—C62	1.390 (4)
C5—C12	1.435 (5)	C61—P2	1.843 (3)
C5—H5	0.9300	C62—C63	1.387 (5)
C6—C14	1.431 (5)	C62—H62	0.9300
C6—H6	0.9300	C63—C64	1.374 (5)
C7—C8	1.362 (6)	C63—H63	0.9300
C7—C14	1.422 (5)	C64—C65	1.363 (5)
C7—C16	1.520 (5)	C64—H64	0.9300
C8—C9	1.380 (5)	C65—C66	1.395 (5)
C8—H7	0.9300	C65—H65	0.9300
C9—N10	1.337 (4)	C66—H66	0.9300
C9—H8	0.9300	C71—C76	1.383 (5)
C11—N1	1.364 (4)	C71—C72	1.394 (5)
C11—C12	1.412 (4)	C71—P2	1.830 (3)
C11—C13	1.432 (4)	C72—C73	1.390 (5)
C13—N10	1.377 (4)	C72—H72	0.9300
C13—C14	1.415 (4)	C73—C74	1.366 (7)
C15—H15A	0.9600	C73—H73	0.9300
C15—H15B	0.9600	C74—C75	1.363 (7)
C15—H15C	0.9600	C74—H74	0.9300
C16—H16A	0.9600	C75—C76	1.408 (6)
C16—H16B	0.9600	C75—H75	0.9300
C16—H16C	0.9600	C76—H76	0.9300
C21—O22	1.160 (4)	C81—C86	1.384 (5)
C21—Ru1	1.840 (3)	C81—C82	1.387 (5)
C31—C32	1.378 (4)	C81—P2	1.839 (3)
C31—C36	1.390 (5)	C82—C83	1.376 (5)
C31—P1	1.840 (3)	C82—H82	0.9300
C32—C33	1.401 (5)	C83—C84	1.380 (7)
C32—H32	0.9300	C83—H83	0.9300
C33—C34	1.354 (6)	C84—C85	1.361 (7)
C33—H33	0.9300	C84—H84	0.9300
C34—C35	1.367 (6)	C85—C86	1.399 (6)
C34—H34	0.9300	C85—H85	0.9300
C35—C36	1.384 (5)	C86—H86	0.9300
C35—H35	0.9300	N1—Ru1	2.136 (2)
C36—H36	0.9300	N10—Ru1	2.182 (2)
C41—C46	1.387 (4)	P1—Ru1	2.3667 (8)
C41—C42	1.393 (4)	P2—Ru1	2.3762 (8)
C41—P1	1.834 (3)	Ru1—H1	1.57 (3)
C42—C43	1.383 (5)	F1A—P3	1.637 (11)
C42—H42	0.9300	F2A—F4A	1.36 (3)
C43—C44	1.380 (5)	F2A—P3	1.523 (14)
C43—H43	0.9300	F2A—F3A	1.65 (3)
C44—C45	1.377 (5)	F3A—P3	1.580 (15)
C44—H44	0.9300	F4A—P3	1.450 (11)
C45—C46	1.387 (4)	F5A—P3	1.499 (12)
C45—H45	0.9300	F6A—P3	1.431 (11)
C46—H46	0.9300	F1B—P3	1.448 (8)
C51—C56	1.380 (5)	F1B—F2B	1.53 (3)
C51—C52	1.400 (5)	F2B—P3	1.581 (9)
C51—P1	1.838 (3)	F3B—P3	1.539 (11)
C52—C53	1.384 (5)	F4B—P3	1.629 (7)
C52—H52	0.9300	F5B—P3	1.613 (11)
C53—C54	1.400 (6)	F6B—P3	1.592 (8)
N1—C2—C3	123.0 (3)	C63—C64—H64	119.8
N1—C2—H2	118.5	C64—C65—C66	119.8 (4)
C3—C2—H2	118.5	C64—C65—H65	120.1
C4—C3—C2	120.7 (3)	C66—C65—H65	120.1
C4—C3—H3	119.6	C61—C66—C65	120.8 (3)
C2—C3—H3	119.6	C61—C66—H66	119.6
C3—C4—C12	117.7 (3)	C65—C66—H66	119.6
C3—C4—C15	120.9 (4)	C76—C71—C72	118.4 (3)
C12—C4—C15	121.4 (4)	C76—C71—P2	121.9 (3)
C6—C5—C12	122.2 (3)	C72—C71—P2	119.5 (3)
C6—C5—H5	118.9	C73—C72—C71	120.8 (4)
C12—C5—H5	118.9	C73—C72—H72	119.6
C5—C6—C14	121.9 (4)	C71—C72—H72	119.6
C5—C6—H6	119.1	C74—C73—C72	119.9 (4)
C14—C6—H6	119.1	C74—C73—H73	120.0
C8—C7—C14	118.0 (3)	C72—C73—H73	120.0
C8—C7—C16	121.2 (4)	C75—C74—C73	120.7 (4)
C14—C7—C16	120.8 (4)	C75—C74—H74	119.6
C7—C8—C9	121.2 (4)	C73—C74—H74	119.6
C7—C8—H7	119.4	C74—C75—C76	119.8 (5)
C9—C8—H7	119.4	C74—C75—H75	120.1
N10—C9—C8	123.6 (3)	C76—C75—H75	120.1
N10—C9—H8	118.2	C71—C76—C75	120.3 (4)
C8—C9—H8	118.2	C71—C76—H76	119.8
N1—C11—C12	122.8 (3)	C75—C76—H76	119.8
N1—C11—C13	117.0 (3)	C86—C81—C82	118.5 (3)
C12—C11—C13	120.3 (3)	C86—C81—P2	124.1 (3)
C11—C12—C4	118.1 (3)	C82—C81—P2	117.4 (3)
C11—C12—C5	117.5 (3)	C83—C82—C81	121.4 (4)
C4—C12—C5	124.4 (3)	C83—C82—H82	119.3
N10—C13—C14	123.0 (3)	C81—C82—H82	119.3
N10—C13—C11	116.4 (3)	C82—C83—C84	119.7 (5)
C14—C13—C11	120.6 (3)	C82—C83—H83	120.2
C13—C14—C7	117.6 (3)	C84—C83—H83	120.2
C13—C14—C6	117.5 (3)	C85—C84—C83	119.8 (4)
C7—C14—C6	124.9 (4)	C85—C84—H84	120.1
C4—C15—H15A	109.5	C83—C84—H84	120.1
C4—C15—H15B	109.5	C84—C85—C86	120.9 (4)
H15A—C15—H15B	109.5	C84—C85—H85	119.6
C4—C15—H15C	109.5	C86—C85—H85	119.6
H15A—C15—H15C	109.5	C81—C86—C85	119.7 (4)
H15B—C15—H15C	109.5	C81—C86—H86	120.2
C7—C16—H16A	109.5	C85—C86—H86	120.2
C7—C16—H16B	109.5	C2—N1—C11	117.6 (3)
H16A—C16—H16B	109.5	C2—N1—Ru1	126.3 (2)
C7—C16—H16C	109.5	C11—N1—Ru1	116.02 (19)
H16A—C16—H16C	109.5	C9—N10—C13	116.5 (3)
H16B—C16—H16C	109.5	C9—N10—Ru1	129.2 (2)
O22—C21—Ru1	178.5 (3)	C13—N10—Ru1	114.18 (19)
C32—C31—C36	118.3 (3)	C41—P1—C51	104.45 (14)
C32—C31—P1	123.1 (2)	C41—P1—C31	102.86 (14)
C36—C31—P1	118.5 (3)	C51—P1—C31	101.74 (14)
C31—C32—C33	120.4 (3)	C41—P1—Ru1	112.47 (10)
C31—C32—H32	119.8	C51—P1—Ru1	117.13 (11)
C33—C32—H32	119.8	C31—P1—Ru1	116.42 (10)
C34—C33—C32	120.1 (4)	C71—P2—C81	104.64 (15)
C34—C33—H33	119.9	C71—P2—C61	102.77 (15)
C32—C33—H33	119.9	C81—P2—C61	102.73 (15)
C33—C34—C35	120.4 (4)	C71—P2—Ru1	112.49 (10)
C33—C34—H34	119.8	C81—P2—Ru1	115.92 (11)
C35—C34—H34	119.8	C61—P2—Ru1	116.68 (10)
C34—C35—C36	120.0 (4)	C21—Ru1—N1	178.57 (12)
C34—C35—H35	120.0	C21—Ru1—N10	102.96 (13)
C36—C35—H35	120.0	N1—Ru1—N10	76.17 (9)
C35—C36—C31	120.7 (4)	C21—Ru1—P1	89.17 (10)
C35—C36—H36	119.7	N1—Ru1—P1	89.77 (7)
C31—C36—H36	119.7	N10—Ru1—P1	95.08 (7)
C46—C41—C42	118.6 (3)	C21—Ru1—P2	90.78 (10)
C46—C41—P1	120.8 (2)	N1—Ru1—P2	90.46 (7)
C42—C41—P1	120.2 (2)	N10—Ru1—P2	97.03 (7)
C43—C42—C41	120.3 (3)	P1—Ru1—P2	167.58 (3)
C43—C42—H42	119.9	C21—Ru1—H1	88.9 (10)
C41—C42—H42	119.9	N1—Ru1—H1	91.9 (10)
C44—C43—C42	120.4 (4)	N10—Ru1—H1	167.8 (10)
C44—C43—H43	119.8	P1—Ru1—H1	82.4 (11)
C42—C43—H43	119.8	P2—Ru1—H1	85.2 (11)
C45—C44—C43	119.9 (3)	F4A—F2A—P3	60.0 (7)
C45—C44—H44	120.0	F4A—F2A—F3A	95.4 (16)
C43—C44—H44	120.0	P3—F2A—F3A	59.6 (8)
C44—C45—C46	119.7 (3)	P3—F3A—F2A	56.2 (8)
C44—C45—H45	120.1	F2A—F4A—P3	65.6 (10)
C46—C45—H45	120.1	P3—F1B—F2B	64.0 (9)
C41—C46—C45	121.0 (3)	F1B—F2B—P3	55.4 (5)
C41—C46—H46	119.5	F6A—P3—F4A	98.3 (12)
C45—C46—H46	119.5	F6A—P3—F5A	96.6 (10)
C56—C51—C52	118.3 (3)	F4A—P3—F5A	90.3 (7)
C56—C51—P1	118.7 (3)	F6A—P3—F2A	137.9 (17)
C52—C51—P1	122.8 (3)	F4A—P3—F2A	54.4 (12)
C53—C52—C51	120.5 (4)	F5A—P3—F2A	113.0 (12)
C53—C52—H52	119.8	F1B—P3—F3B	95.5 (9)
C51—C52—H52	119.8	F6A—P3—F3A	91.0 (9)
C52—C53—C54	119.8 (4)	F4A—P3—F3A	95.0 (11)
C52—C53—H53	120.1	F5A—P3—F3A	170.1 (11)
C54—C53—H53	120.1	F2A—P3—F3A	64.2 (11)
C55—C54—C53	119.8 (4)	F1B—P3—F2B	60.6 (12)
C55—C54—H54	120.1	F3B—P3—F2B	98.4 (8)
C53—C54—H54	120.1	F1B—P3—F6B	98.0 (8)
C54—C55—C56	120.4 (4)	F3B—P3—F6B	94.1 (8)
C54—C55—H55	119.8	F2B—P3—F6B	156.0 (12)
C56—C55—H55	119.8	F1B—P3—F5B	92.3 (7)
C51—C56—C55	121.2 (4)	F3B—P3—F5B	172.1 (8)
C51—C56—H56	119.4	F2B—P3—F5B	86.6 (6)
C55—C56—H56	119.4	F6B—P3—F5B	83.4 (6)
C66—C61—C62	118.2 (3)	F1B—P3—F4B	177.7 (7)
C66—C61—P2	121.7 (2)	F3B—P3—F4B	86.7 (7)
C62—C61—P2	120.1 (3)	F2B—P3—F4B	118.7 (12)
C63—C62—C61	120.6 (3)	F6B—P3—F4B	82.2 (5)
C63—C62—H62	119.7	F5B—P3—F4B	85.5 (5)
C61—C62—H62	119.7	F6A—P3—F1A	88.4 (14)
C64—C63—C62	120.1 (3)	F4A—P3—F1A	172.9 (10)
C64—C63—H63	120.0	F5A—P3—F1A	86.6 (7)
C62—C63—H63	120.0	F2A—P3—F1A	121.3 (12)
C65—C64—C63	120.5 (4)	F3A—P3—F1A	87.2 (10)
C65—C64—H64	119.8
N1—C2—C3—C4	0.0 (5)	C83—C84—C85—C86	1.2 (8)
C2—C3—C4—C12	−1.2 (5)	C82—C81—C86—C85	−1.0 (6)
C2—C3—C4—C15	178.4 (3)	P2—C81—C86—C85	179.7 (3)
C12—C5—C6—C14	1.6 (7)	C84—C85—C86—C81	0.6 (7)
C14—C7—C8—C9	−2.5 (6)	C3—C2—N1—C11	0.5 (5)
C16—C7—C8—C9	176.3 (4)	C3—C2—N1—Ru1	179.4 (2)
C7—C8—C9—N10	0.1 (7)	C12—C11—N1—C2	0.2 (4)
N1—C11—C12—C4	−1.4 (5)	C13—C11—N1—C2	−179.9 (3)
C13—C11—C12—C4	178.7 (3)	C12—C11—N1—Ru1	−178.8 (2)
N1—C11—C12—C5	178.0 (3)	C13—C11—N1—Ru1	1.1 (3)
C13—C11—C12—C5	−2.0 (5)	C8—C9—N10—C13	2.1 (5)
C3—C4—C12—C11	1.8 (5)	C8—C9—N10—Ru1	−173.5 (3)
C15—C4—C12—C11	−177.8 (3)	C14—C13—N10—C9	−2.0 (5)
C3—C4—C12—C5	−177.5 (4)	C11—C13—N10—C9	178.3 (3)
C15—C4—C12—C5	2.9 (6)	C14—C13—N10—Ru1	174.3 (3)
C6—C5—C12—C11	−0.4 (6)	C11—C13—N10—Ru1	−5.4 (3)
C6—C5—C12—C4	178.9 (4)	C46—C41—P1—C51	48.9 (3)
N1—C11—C13—N10	3.0 (4)	C42—C41—P1—C51	−138.6 (3)
C12—C11—C13—N10	−177.1 (3)	C46—C41—P1—C31	154.8 (3)
N1—C11—C13—C14	−176.8 (3)	C42—C41—P1—C31	−32.7 (3)
C12—C11—C13—C14	3.2 (5)	C46—C41—P1—Ru1	−79.1 (3)
N10—C13—C14—C7	−0.3 (5)	C42—C41—P1—Ru1	93.4 (3)
C11—C13—C14—C7	179.4 (3)	C56—C51—P1—C41	−164.1 (3)
N10—C13—C14—C6	178.3 (3)	C52—C51—P1—C41	19.1 (3)
C11—C13—C14—C6	−2.0 (5)	C56—C51—P1—C31	89.1 (3)
C8—C7—C14—C13	2.5 (6)	C52—C51—P1—C31	−87.6 (3)
C16—C7—C14—C13	−176.3 (4)	C56—C51—P1—Ru1	−39.0 (3)
C8—C7—C14—C6	−176.0 (4)	C52—C51—P1—Ru1	144.3 (3)
C16—C7—C14—C6	5.2 (7)	C32—C31—P1—C41	118.5 (3)
C5—C6—C14—C13	−0.4 (6)	C36—C31—P1—C41	−59.3 (3)
C5—C6—C14—C7	178.1 (4)	C32—C31—P1—C51	−133.5 (3)
C36—C31—C32—C33	−2.5 (5)	C36—C31—P1—C51	48.7 (3)
P1—C31—C32—C33	179.7 (3)	C32—C31—P1—Ru1	−4.9 (3)
C31—C32—C33—C34	0.9 (6)	C36—C31—P1—Ru1	177.3 (3)
C32—C33—C34—C35	2.0 (6)	C76—C71—P2—C81	131.1 (3)
C33—C34—C35—C36	−3.2 (7)	C72—C71—P2—C81	−55.1 (3)
C34—C35—C36—C31	1.5 (7)	C76—C71—P2—C61	24.0 (3)
C32—C31—C36—C35	1.4 (6)	C72—C71—P2—C61	−162.1 (3)
P1—C31—C36—C35	179.3 (3)	C76—C71—P2—Ru1	−102.3 (3)
C46—C41—C42—C43	−0.4 (5)	C72—C71—P2—Ru1	71.6 (3)
P1—C41—C42—C43	−173.1 (3)	C86—C81—P2—C71	−12.7 (3)
C41—C42—C43—C44	−0.1 (6)	C82—C81—P2—C71	168.0 (3)
C42—C43—C44—C45	0.4 (7)	C86—C81—P2—C61	94.3 (3)
C43—C44—C45—C46	−0.3 (6)	C82—C81—P2—C61	−84.9 (3)
C42—C41—C46—C45	0.5 (5)	C86—C81—P2—Ru1	−137.2 (3)
P1—C41—C46—C45	173.1 (3)	C82—C81—P2—Ru1	43.5 (3)
C44—C45—C46—C41	−0.2 (6)	C66—C61—P2—C71	−106.3 (3)
C56—C51—C52—C53	0.7 (6)	C62—C61—P2—C71	70.9 (3)
P1—C51—C52—C53	177.5 (3)	C66—C61—P2—C81	145.2 (3)
C51—C52—C53—C54	0.8 (7)	C62—C61—P2—C81	−37.6 (3)
C52—C53—C54—C55	−1.2 (8)	C66—C61—P2—Ru1	17.3 (3)
C53—C54—C55—C56	0.0 (8)	C62—C61—P2—Ru1	−165.5 (2)
C52—C51—C56—C55	−2.0 (6)	F4A—F2A—F3A—P3	−50.4 (10)
P1—C51—C56—C55	−178.9 (3)	F3A—F2A—F4A—P3	50.1 (11)
C54—C55—C56—C51	1.6 (7)	F2B—F1B—P3—F3B	96.5 (9)
C66—C61—C62—C63	1.4 (5)	F2B—F1B—P3—F6B	−168.5 (8)
P2—C61—C62—C63	−175.9 (3)	F2B—F1B—P3—F5B	−84.8 (8)
C61—C62—C63—C64	0.3 (6)	F2A—F4A—P3—F6A	−144.9 (17)
C62—C63—C64—C65	−1.7 (6)	F2A—F4A—P3—F5A	118.5 (16)
C63—C64—C65—C66	1.3 (7)	F2A—F4A—P3—F3A	−53.2 (15)
C62—C61—C66—C65	−1.8 (6)	F4A—F2A—P3—F6A	58 (2)
P2—C61—C66—C65	175.5 (3)	F3A—F2A—P3—F6A	−60 (2)
C64—C65—C66—C61	0.5 (6)	F3A—F2A—P3—F4A	−117.7 (18)
C76—C71—C72—C73	0.0 (5)	F4A—F2A—P3—F5A	−72.7 (16)
P2—C71—C72—C73	−174.1 (3)	F3A—F2A—P3—F5A	169.6 (11)
C71—C72—C73—C74	0.0 (6)	F4A—F2A—P3—F3A	117.7 (18)
C72—C73—C74—C75	0.7 (7)	F4A—F2A—P3—F1A	−173.2 (12)
C73—C74—C75—C76	−1.2 (8)	F3A—F2A—P3—F1A	69.1 (14)
C72—C71—C76—C75	−0.5 (6)	F2A—F3A—P3—F6A	144.7 (19)
P2—C71—C76—C75	173.5 (4)	F2A—F3A—P3—F4A	46.3 (15)
C74—C75—C76—C71	1.1 (8)	F2A—F3A—P3—F1A	−127.0 (13)
C86—C81—C82—C83	−0.3 (6)	F1B—F2B—P3—F3B	−91.6 (9)
P2—C81—C82—C83	179.0 (4)	F1B—F2B—P3—F6B	29.0 (17)
C81—C82—C83—C84	2.1 (8)	F1B—F2B—P3—F5B	94.5 (9)
C82—C83—C84—C85	−2.5 (8)	F1B—F2B—P3—F4B	177.5 (7)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
C33—H33···F1B	0.93	2.46	3.366 (13)	164
C8—H8···F4B^i	0.93	2.48	3.325 (10)	151
C35—H35···O22^ii	0.93	2.46	3.362 (6)	163

Symmetry codes: (i) x+1, −y+1/2, z+1/2; (ii) x, −y+1/2, z−1/2.