trans-(Acetonitrile)bis­[1,2-bis­(diphenyl­phosphino)ethane-κ²P,P′](phenyl­ethyn­yl)ruthenium(II) hexa­fluoro­phosphate ethanol hemisolvate

The title compound, [Ru(C₈H₅)(C₂H₃N)(C₂₆H₂₄P₂)₂]PF₆·0.5C₂H₅OH, comprises a pseudo-octa­hedral ruthenium complex cation with two bidentate diphosphine ligands and trans-disposed acetonitrile and phenyl­ethynyl ligands, together with a disordered hexa­fluoro­phosphate anion and a disordered ethanol solvent mol­ecule.

Key indicators

• Single-crystal X-ray study
• T = 200 K
• Mean [sigma](C-C) = 0.007 Å
• H-atom completeness 95%
• Disorder in solvent or counterion
• R factor = 0.051
• wR factor = 0.054
• Data-to-parameter ratio = 12.8

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT220_ALERT_2_A Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       4.98 Ratio

Author Response: ... C1 [Ueq 0.0318] is rigidly bonded to heavy atom Ru1, so its Ueq is expected to be small. C6 [Ueq 0.1579] and to a lesser extent C5 [Ueq 0.1222] and C7 [Ueq 0.1267] are the atoms on the alkynyl ligand that are furthest removed from the metal. The alkynyl ligand moves as a unit so it is understandable that C5-7 have large Ueq values.

Alert level B
PLAT222_ALERT_3_B Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       4.67 Ratio

Author Response: ... H121 and H122 [Ueq 0.0441] are bonded to a bidentate diphosphine held in a rigid chelate ring, so their Ueq values are expected to be small. H61 [Ueq 0.2058] and to a lesser extent H51 [Ueq 0.1492] and H71 [Ueq 0.1707] are attached to the C atoms on the alkynyl ligand that are furthest removed from the metal (see above). The alkynyl ligand moves as a unit so it is understandable that H51-H71 have large Ueq values.

PLAT241_ALERT_2_B Check High      Ueq as Compared to Neighbors for         C6

Author Response: ... C6 [Ueq 0.1579] is the atom on the alkynyl ligand that is furthest removed from the metal. C5 [Ueq 0.1222] and C7 [Ueq 0.1267] are closer to the metal. The alkynyl ligand moves as a unit so it is understandable that C5-7 have large Ueq values and that the difference between Ueqs of adjacent atoms is maximized at C6.

Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.50 Ratio
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT145_ALERT_4_C su on beta     Small or Missing  (x 10000) .....          4 Deg.
PLAT202_ALERT_3_C Isotropic non-H Atoms in Anion/Solvent .........          7
PLAT213_ALERT_2_C Atom C6      has ADP max/min Ratio .............       3.80 prola
PLAT213_ALERT_2_C Atom C7      has ADP max/min Ratio .............       3.10 prola
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        P50
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        P51
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      40.00 Perc.
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C2     -   C3     ...       1.44 Ang.

Author Response: ... This is a normal value for a C-C single bond in this environment.

PLAT410_ALERT_2_C Short Intra H...H Contact  H102   ..  H321    ..       1.95 Ang.

Author Response: ... This involves two H atoms and is marginally shorter than the 2.0 Ang cut-off. This is not a problem.

Alert level G
FORMU01_ALERT_2_G  There is a discrepancy between the atom counts in the
            _chemical_formula_sum and the formula from the _atom_site* data.
            Atom count from _chemical_formula_sum:C63 H59 F6 N1 O0.5 P5 Ru1
            Atom count from the _atom_site data:  C63 H56 F6 N1 O0.5 P5 Ru1

Author Response: ... H atoms of the solvate were not included.

CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected.

Author Response: ... H atoms of the solvate were not included.

CELLZ01_ALERT_1_G WARNING: H atoms missing from atom site list. Is this intentional?
           From the CIF: _cell_formula_units_Z    4
           From the CIF: _chemical_formula_sum  C63 H59 F6 N1 O0.50 P5 Ru1
           TEST: Compare cell contents of formula and atom_site data

           atom    Z*formula  cif sites diff
           C        252.00    252.00    0.00
           H        236.00    224.00   12.00
           F         24.00     24.00    0.00
           N          4.00      4.00    0.00
           O          2.00      2.00    0.00
           P         20.00     20.00    0.00
           Ru         4.00      4.00    0.00

Author Response: ... H atoms of the solvate were not included.

   1 ALERT level A = In general: serious problem
   2 ALERT level B = Potentially serious problem
  14 ALERT level C = Check and explain
   3 ALERT level G = General alerts; check

   6 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   7 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   5 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

---

Computing details

Data collection: COLLECT (Enraf–Nonius, 1997); cell refinement: DENZO/SCALEPACK; data reduction: DENZO/SCALEPACK (Otwinowski & Minor, 1997); program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: CRYSTALS (Watkin et al., 1999); molecular graphics: ORTEPII (Johnson, 1976) in TEXSAN (Molecular Structure Corporation, 1997); software used to prepare material for publication: CRYSTALS.

trans-(Acetonitrile)bis[1,2-bis(diphenylphosphino)ethane- κ²P,P'](phenylethynyl)ruthenium(II) hexafluorophosphate ethanol hemisolvate

Crystal data

[Ru(C8H5)(C2H3N)(C26H24P2)2]·F6P^−·0.5C2H6O	F(000) = 2484
Mr = 1208.9	Dx = 1.405 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
a = 18.4312 (2) Å	Cell parameters from 164263 reflections
b = 17.0281 (2) Å	θ = 3–27°
c = 18.5444 (2) Å	µ = 0.48 mm^−1
β = 101.1934 (4)°	T = 200 K
V = 5709.42 (11) Å^3	Plate, yellow
Z = 4	0.24 × 0.20 × 0.13 mm

Data collection

Enraf–Nonius KappaCCD area-detector diffractometer	8703 reflections with I > 3σ(I)
Graphite monochromator	Rint = 0.04
φ and ω scans	θmax = 27.5°, θmin = 4.1°
Absorption correction: integration via Gaussian method (Coppens, 1970) implemented in MAXUS (MacKay et al., 2000)	h = −23→23
Tmin = 0.907, Tmax = 0.958	k = −20→22
110542 measured reflections	l = −24→24
13121 independent reflections

Refinement

Refinement on F	Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full	H-atom parameters constrained
R[F^2 > 2σ(F^2)] = 0.051	Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979), 1.46 0.729 1.01
wR(F^2) = 0.055	(Δ/σ)max = 0.018
S = 1.00	Δρmax = 1.20 e Å^−3
8703 reflections	Δρmin = −2.27 e Å^−3
681 parameters	Extinction correction: Larson (1970), eq. 22
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 637 (71)

Special details

Experimental. Spectroscopic analysis: IR (CH₂Cl₂): (νNC) 1967 cm^-1, (νCC) 2086 cm^-1; UV–vis: λ(THF) 298 nm, ε 12 400 M^-1 cm^-1; ¹H NMR (300 MHz, CDCl₃, δ, p.p.m.): 1.35 (3H, s, CH₃), 2.64–2.75 (8H, m, CH₂), 6.58–8.08 (45H, m, Ph); ³¹P NMR: (121 MHz, CDCl₃, δ, p.p.m.): 51.2 (s). FAB MS, m/z (fragment, relative intensity): 1040 ([M]⁺, 10), 999 ([M - NC₂H₃]⁺, 45), 878 ([Ru(dppe)₂]⁺, 80).

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
Ru1	0.192665 (12)	0.216026 (12)	0.514372 (13)	0.0267
P1	0.10109 (4)	0.22764 (4)	0.40812 (4)	0.0325
P2	0.12867 (4)	0.09693 (4)	0.52469 (4)	0.0316
P3	0.26002 (4)	0.33224 (4)	0.49735 (4)	0.0313
P4	0.28601 (4)	0.20805 (4)	0.62395 (4)	0.0303
P50	0.5511 (2)	0.2321 (2)	0.4864 (3)	0.0954 (8)*	0.539 (6)
P51	0.5404 (3)	0.2405 (3)	0.4563 (3)	0.0954 (8)*	0.461 (6)
F10	0.6290 (7)	0.2589 (11)	0.531 (1)	0.238 (6)*	0.539 (6)
F11	0.6244 (6)	0.2635 (13)	0.4819 (12)	0.238 (6)*	0.461 (6)
F20	0.5671 (9)	0.1453 (6)	0.5125 (9)	0.193 (4)*	0.539 (6)
F21	0.553 (1)	0.1526 (7)	0.483 (1)	0.193 (4)*	0.461 (6)
F30	0.5194 (6)	0.2404 (7)	0.5578 (5)	0.136 (2)*	0.539 (6)
F31	0.5243 (7)	0.2719 (7)	0.5319 (6)	0.136 (2)*	0.461 (6)
F40	0.4728 (5)	0.2001 (6)	0.4476 (6)	0.125 (2)*	0.539 (6)
F41	0.4584 (5)	0.2178 (7)	0.4282 (7)	0.125 (2)*	0.461 (6)
F50	0.5277 (6)	0.3170 (5)	0.4629 (6)	0.128 (2)*	0.539 (6)
F51	0.5178 (7)	0.3232 (5)	0.4279 (7)	0.128 (2)*	0.461 (6)
F60	0.5926 (5)	0.2164 (5)	0.4254 (5)	0.1051 (17)*	0.539 (6)
F61	0.5588 (6)	0.2177 (5)	0.3833 (5)	0.1051 (17)*	0.461 (6)
O91	0.5610 (8)	0.5311 (9)	0.5673 (8)	0.075 (4)*	0.2500
O92	0.472 (1)	0.5129 (11)	0.584 (1)	0.092 (5)*	0.2500
N1	0.26363 (14)	0.16080 (15)	0.45651 (15)	0.0343
C1	0.11327 (16)	0.26233 (17)	0.56301 (17)	0.0318
C2	0.05921 (18)	0.28412 (18)	0.58568 (19)	0.0374
C3	−0.0067 (2)	0.3071 (2)	0.6109 (3)	0.0536
C4	−0.0676 (2)	0.3366 (3)	0.5613 (4)	0.0795
C5	−0.1308 (3)	0.3576 (4)	0.5869 (7)	0.1222
C6	−0.1366 (5)	0.3510 (5)	0.6576 (9)	0.1579
C7	−0.0771 (5)	0.3212 (4)	0.7070 (6)	0.1267
C8	−0.0112 (3)	0.2988 (3)	0.6852 (3)	0.0773
C9	0.01691 (18)	0.1791 (2)	0.4261 (2)	0.0422
C10	0.02990 (17)	0.1152 (2)	0.4839 (2)	0.0408
C11	0.35647 (17)	0.3079 (2)	0.53967 (19)	0.0378
C12	0.35819 (18)	0.28323 (19)	0.61840 (18)	0.0370
C13	0.2982 (2)	0.1271 (2)	0.4212 (2)	0.0440
C14	0.3415 (3)	0.0825 (3)	0.3783 (3)	0.0750
C15	0.1197 (2)	0.1821 (2)	0.32476 (19)	0.0451
C16	0.1711 (3)	0.2160 (3)	0.2893 (3)	0.0675
C17	0.1854 (3)	0.1847 (4)	0.2248 (3)	0.0889
C18	0.1508 (4)	0.1152 (4)	0.1970 (3)	0.0928
C19	0.1018 (4)	0.0802 (3)	0.2317 (3)	0.0831
C20	0.0850 (3)	0.1125 (2)	0.2963 (2)	0.0636
C21	0.06374 (17)	0.32420 (19)	0.37577 (19)	0.0370
C22	0.0580 (2)	0.3830 (2)	0.4258 (2)	0.0484
C23	0.0284 (3)	0.4557 (2)	0.4031 (3)	0.0571
C24	0.0047 (2)	0.4713 (2)	0.3294 (3)	0.0565
C25	0.0107 (3)	0.4137 (3)	0.2789 (3)	0.0625
C26	0.0390 (2)	0.3397 (2)	0.3013 (2)	0.0494
C27	0.15542 (18)	0.01035 (18)	0.47710 (17)	0.0358
C28	0.2284 (2)	−0.0155 (2)	0.4968 (2)	0.0423
C29	0.2503 (3)	−0.0864 (2)	0.4702 (2)	0.0522
C30	0.1998 (3)	−0.1314 (2)	0.4228 (2)	0.0601
C31	0.1278 (3)	−0.1054 (2)	0.4009 (2)	0.0575
C32	0.1059 (2)	−0.0351 (2)	0.42783 (19)	0.0445
C33	0.11940 (17)	0.05368 (18)	0.61405 (18)	0.0353
C34	0.0895 (2)	0.0996 (2)	0.6629 (2)	0.0485
C35	0.0802 (3)	0.0690 (2)	0.7300 (2)	0.0589
C36	0.1008 (3)	−0.0074 (2)	0.7494 (2)	0.0544
C37	0.1305 (2)	−0.0534 (2)	0.7012 (2)	0.0497
C38	0.1399 (2)	−0.02365 (19)	0.63341 (19)	0.0408
C39	0.26784 (19)	0.36509 (19)	0.40523 (18)	0.0392
C40	0.3220 (2)	0.3342 (2)	0.3700 (2)	0.0485
C41	0.3247 (3)	0.3587 (3)	0.2986 (2)	0.0607
C42	0.2750 (3)	0.4132 (3)	0.2627 (2)	0.0684
C43	0.2217 (3)	0.4442 (3)	0.2979 (2)	0.0613
C44	0.2184 (2)	0.4209 (2)	0.3687 (2)	0.0471
C45	0.24926 (18)	0.42474 (18)	0.54391 (18)	0.0361
C46	0.2024 (2)	0.4306 (2)	0.5942 (2)	0.0439
C47	0.2015 (2)	0.4998 (2)	0.6345 (3)	0.0585
C48	0.2465 (3)	0.5609 (2)	0.6257 (3)	0.0613
C49	0.2931 (3)	0.5565 (2)	0.5754 (3)	0.0585
C50	0.2938 (2)	0.4888 (2)	0.5340 (2)	0.0468
C51	0.33670 (18)	0.11514 (18)	0.63231 (18)	0.0387
C52	0.3919 (2)	0.1008 (2)	0.5922 (2)	0.0482
C53	0.4236 (3)	0.0260 (3)	0.5940 (3)	0.0641
C54	0.4014 (3)	−0.0332 (2)	0.6352 (3)	0.0679
C55	0.3479 (3)	−0.0190 (2)	0.6755 (3)	0.0610
C56	0.3149 (2)	0.05464 (19)	0.6747 (2)	0.0464
C57	0.27489 (18)	0.22575 (17)	0.71886 (17)	0.0347
C58	0.2093 (2)	0.2534 (2)	0.7348 (2)	0.0467
C59	0.2037 (3)	0.2726 (2)	0.8072 (2)	0.0592
C60	0.2658 (3)	0.2663 (2)	0.8627 (2)	0.0574
C61	0.3310 (3)	0.2388 (3)	0.8475 (2)	0.0574
C62	0.3364 (2)	0.2185 (2)	0.7756 (2)	0.0471
C90	0.5144 (3)	0.4910 (4)	0.5398 (3)	0.0839
H41	−0.0657	0.3425	0.5080	0.0956*
H51	−0.1740	0.3787	0.5510	0.1492*
H61	−0.1829	0.3672	0.6742	0.2058*
H71	−0.0810	0.3153	0.7597	0.1707*
H81	0.0314	0.2776	0.7217	0.1017*
H91	−0.01516	0.2201	0.4424	0.0494*
H92	−0.00951	0.1552	0.3790	0.0494*
H101	0.00393	0.1304	0.5244	0.0492*
H102	0.00818	0.0652	0.4608	0.0492*
H111	0.38870	0.3550	0.53868	0.0464*
H112	0.37451	0.2639	0.51207	0.0464*
H121	0.34920	0.33033	0.64766	0.0441*
H122	0.40794	0.26072	0.63929	0.0441*
H141	0.3896	0.1104	0.3803	0.0951*
H142	0.3507	0.0286	0.3993	0.0951*
H143	0.3143	0.0788	0.3262	0.0951*
H161	0.1984	0.2639	0.3107	0.0829*
H171	0.2204	0.2119	0.1981	0.1111*
H181	0.1625	0.0913	0.1513	0.1138*
H191	0.0768	0.0307	0.2112	0.1001*
H201	0.0486	0.0860	0.3217	0.0764*
H221	0.0755	0.3727	0.4795	0.0587*
H231	0.0243	0.4970	0.4404	0.0695*
H241	−0.0167	0.5237	0.3128	0.0664*
H251	−0.0054	0.4250	0.2253	0.0712*
H261	0.0416	0.2979	0.2640	0.0569*
H281	0.2654	0.0172	0.5304	0.0510*
H291	0.3026	−0.1046	0.4853	0.0641*
H301	0.2152	−0.1828	0.4045	0.0755*
H311	0.0916	−0.1373	0.3657	0.0708*
H321	0.0538	−0.0168	0.41163	0.0545*
H341	0.0746	0.1550	0.6497	0.0601*
H351	0.0585	0.1026	0.7646	0.0738*
H361	0.0942	−0.0291	0.7978	0.0659*
H371	0.1454	−0.1087	0.7149	0.0593*
H381	0.1613	−0.05763	0.59881	0.0489*
H401	0.3585	0.2950	0.3957	0.0603*
H411	0.3632	0.3364	0.2732	0.0767*
H421	0.2775	0.4302	0.2117	0.0851*
H431	0.1855	0.4836	0.2721	0.0748*
H441	0.1802	0.4443	0.3940	0.0576*
H461	0.1696	0.3856	0.6014	0.0537*
H471	0.1674	0.5044	0.6702	0.0710*
H481	0.2460	0.6095	0.6559	0.0732*
H491	0.3259	0.6018	0.5690	0.0691*
H501	0.3265	0.4857	0.4969	0.0569*
H521	0.4087	0.1436	0.5624	0.0565*
H531	0.4630	0.0155	0.5650	0.0737*
H541	0.4242	−0.0865	0.6356	0.0760*
H551	0.3324	−0.0621	0.7059	0.0692*
H561	0.2759	0.06431	0.7043	0.0531*
H581	0.1652	0.2599	0.6943	0.0569*
H591	0.1555	0.2905	0.8186	0.0743*
H601	0.2629	0.2820	0.9141	0.0706*
H611	0.3752	0.2332	0.8881	0.0673*
H621	0.3844	0.1989	0.7649	0.0560*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ru1	0.02659 (12)	0.02358 (12)	0.03087 (13)	−0.00065 (8)	0.00761 (8)	−0.00135 (9)
P1	0.0316 (4)	0.0305 (4)	0.0345 (4)	0.0004 (3)	0.0041 (3)	0.0002 (3)
P2	0.0327 (4)	0.0254 (3)	0.0369 (4)	−0.0033 (3)	0.0071 (3)	−0.0005 (3)
P3	0.0329 (4)	0.0270 (3)	0.0360 (4)	−0.0033 (3)	0.0118 (3)	−0.0009 (3)
P4	0.0303 (4)	0.0271 (3)	0.0335 (4)	−0.0003 (3)	0.0062 (3)	−0.0023 (3)
N1	0.0336 (13)	0.0329 (12)	0.0373 (13)	−0.002 (1)	0.009 (1)	−0.003 (1)
C1	0.0303 (14)	0.0281 (13)	0.0373 (15)	−0.0014 (11)	0.0078 (12)	−0.0012 (11)
C2	0.0342 (15)	0.0316 (14)	0.0487 (18)	−0.0007 (12)	0.0137 (13)	−0.0042 (13)
C3	0.0399 (18)	0.0349 (16)	0.094 (3)	−0.0060 (14)	0.033 (2)	−0.0181 (18)
C4	0.041 (2)	0.054 (2)	0.145 (5)	0.0029 (18)	0.021 (3)	−0.026 (3)
C5	0.043 (3)	0.076 (4)	0.254 (11)	0.006 (3)	0.045 (5)	−0.040 (5)
C6	0.089 (5)	0.083 (4)	0.342 (16)	−0.018 (4)	0.142 (8)	−0.069 (7)
C7	0.149 (7)	0.070 (4)	0.207 (9)	−0.028 (4)	0.150 (7)	−0.044 (5)
C8	0.093 (4)	0.049 (2)	0.113 (4)	−0.014 (2)	0.077 (3)	−0.021 (2)
C9	0.0322 (15)	0.0408 (17)	0.0507 (19)	−0.0049 (13)	0.0008 (13)	0.0028 (15)
C10	0.0297 (15)	0.0380 (16)	0.055 (2)	−0.0049 (12)	0.0096 (13)	0.0031 (14)
C11	0.0321 (15)	0.0371 (15)	0.0467 (18)	−0.0055 (12)	0.0137 (13)	−0.0015 (13)
C12	0.0329 (15)	0.0372 (15)	0.0402 (16)	−0.0063 (12)	0.0051 (12)	−0.0025 (13)
C13	0.0421 (18)	0.0420 (17)	0.0499 (19)	−0.0025 (14)	0.0139 (15)	−0.0073 (15)
C14	0.078 (3)	0.069 (3)	0.090 (3)	0.001 (2)	0.048 (3)	−0.028 (3)
C15	0.0457 (19)	0.0474 (18)	0.0388 (17)	0.0086 (15)	−0.0004 (14)	−0.0064 (15)
C16	0.053 (2)	0.085 (3)	0.069 (3)	−0.015 (2)	0.024 (2)	−0.030 (2)
C17	0.074 (3)	0.119 (5)	0.085 (4)	−0.016 (3)	0.042 (3)	−0.037 (4)
C18	0.101 (4)	0.108 (5)	0.076 (4)	0.000 (4)	0.032 (3)	−0.049 (3)
C19	0.120 (5)	0.064 (3)	0.066 (3)	−0.010 (3)	0.020 (3)	−0.029 (2)
C20	0.098 (3)	0.043 (2)	0.050 (2)	−0.006 (2)	0.015 (2)	−0.0072 (17)
C21	0.0317 (15)	0.0355 (15)	0.0431 (17)	−0.0027 (12)	0.0059 (13)	0.0058 (13)
C22	0.062 (2)	0.0393 (17)	0.0452 (19)	0.0090 (16)	0.0150 (17)	0.0058 (14)
C23	0.070 (3)	0.0404 (19)	0.063 (2)	0.0112 (18)	0.019 (2)	0.0052 (17)
C24	0.054 (2)	0.0394 (18)	0.073 (3)	0.0051 (16)	0.0042 (19)	0.0148 (18)
C25	0.067 (3)	0.053 (2)	0.058 (2)	0.000 (2)	−0.011 (2)	0.0138 (19)
C26	0.054 (2)	0.0432 (18)	0.0455 (19)	−0.0010 (16)	−0.0050 (16)	0.0035 (15)
C27	0.0438 (17)	0.0291 (14)	0.0356 (15)	−0.0054 (12)	0.0107 (13)	−0.0018 (12)
C28	0.0480 (19)	0.0345 (15)	0.0450 (18)	0.0015 (14)	0.0111 (15)	−0.0049 (14)
C29	0.068 (2)	0.0398 (18)	0.053 (2)	0.0110 (17)	0.0208 (18)	−0.0048 (16)
C30	0.088 (3)	0.0366 (18)	0.064 (2)	−0.0084 (19)	0.036 (2)	−0.0177 (17)
C31	0.075 (3)	0.050 (2)	0.052 (2)	−0.024 (2)	0.024 (2)	−0.0205 (18)
C32	0.052 (2)	0.0424 (17)	0.0414 (17)	−0.0153 (15)	0.0161 (15)	−0.0084 (14)
C33	0.0366 (15)	0.0309 (14)	0.0387 (16)	−0.0079 (12)	0.0079 (12)	0.0004 (12)
C34	0.064 (2)	0.0347 (16)	0.051 (2)	0.0002 (16)	0.0230 (17)	0.0008 (15)
C35	0.088 (3)	0.048 (2)	0.049 (2)	−0.007 (2)	0.033 (2)	−0.0012 (17)
C36	0.073 (3)	0.050 (2)	0.0423 (19)	−0.0137 (19)	0.0150 (18)	0.0048 (16)
C37	0.063 (2)	0.0392 (17)	0.0463 (19)	−0.0069 (16)	0.0083 (17)	0.0084 (15)
C38	0.0481 (18)	0.0324 (15)	0.0419 (17)	−0.0032 (13)	0.0087 (14)	0.0006 (13)
C39	0.0442 (17)	0.0374 (16)	0.0385 (16)	−0.0101 (13)	0.0138 (13)	−0.0000 (13)
C40	0.053 (2)	0.0483 (19)	0.050 (2)	−0.0063 (16)	0.0230 (17)	−0.0029 (16)
C41	0.071 (3)	0.068 (3)	0.053 (2)	−0.010 (2)	0.036 (2)	0.000 (2)
C42	0.092 (3)	0.072 (3)	0.048 (2)	−0.007 (3)	0.032 (2)	0.011 (2)
C43	0.074 (3)	0.062 (2)	0.051 (2)	0.001 (2)	0.020 (2)	0.0165 (19)
C44	0.053 (2)	0.0450 (18)	0.0462 (19)	−0.0018 (15)	0.0160 (16)	0.0074 (15)
C45	0.0416 (16)	0.0285 (14)	0.0380 (16)	−0.0018 (12)	0.0077 (13)	−0.0008 (12)
C46	0.0467 (18)	0.0380 (16)	0.0495 (19)	−0.0050 (14)	0.0156 (15)	−0.0084 (14)
C47	0.061 (2)	0.049 (2)	0.068 (3)	−0.0002 (18)	0.017 (2)	−0.0229 (19)
C48	0.068 (3)	0.0340 (18)	0.080 (3)	0.0003 (17)	0.012 (2)	−0.0189 (18)
C49	0.066 (3)	0.0313 (17)	0.075 (3)	−0.0097 (16)	0.007 (2)	−0.0031 (17)
C50	0.051 (2)	0.0320 (16)	0.059 (2)	−0.0080 (14)	0.0154 (16)	−0.0006 (15)
C51	0.0398 (16)	0.0310 (14)	0.0402 (16)	0.0029 (12)	−0.0047 (13)	−0.0055 (13)
C52	0.0465 (19)	0.050 (2)	0.0448 (19)	0.0138 (16)	0.0010 (15)	−0.0095 (16)
C53	0.059 (2)	0.065 (3)	0.061 (2)	0.027 (2)	−0.009 (2)	−0.023 (2)
C54	0.077 (3)	0.040 (2)	0.072 (3)	0.018 (2)	−0.020 (2)	−0.016 (2)
C55	0.076 (3)	0.0304 (17)	0.067 (3)	0.0049 (17)	−0.011 (2)	−0.0052 (17)
C56	0.054 (2)	0.0298 (15)	0.049 (2)	−0.0022 (14)	−0.0055 (16)	−0.0033 (13)
C57	0.0421 (16)	0.0268 (13)	0.0348 (15)	−0.0054 (11)	0.0066 (12)	−0.0023 (11)
C58	0.055 (2)	0.0438 (18)	0.0434 (19)	0.0084 (16)	0.0152 (16)	0.0015 (15)
C59	0.087 (3)	0.048 (2)	0.051 (2)	0.014 (2)	0.034 (2)	0.0006 (17)
C60	0.096 (3)	0.0421 (19)	0.0386 (19)	−0.016 (2)	0.023 (2)	−0.0069 (15)
C61	0.070 (3)	0.061 (2)	0.0371 (18)	−0.028 (2)	0.0008 (18)	−0.0014 (16)
C62	0.0461 (19)	0.052 (2)	0.0417 (18)	−0.0163 (16)	0.0052 (14)	−0.0006 (15)
C90	0.071 (3)	0.092 (4)	0.088 (4)	−0.006 (3)	0.015 (3)	0.000 (3)

Geometric parameters (Å, º)

Ru1—P1	2.3407 (8)	C23—C24	1.378 (6)
Ru1—P2	2.3724 (8)	C23—H231	1.000
Ru1—P3	2.3894 (8)	C24—C25	1.375 (7)
Ru1—P4	2.3980 (8)	C24—H241	1.000
Ru1—N1	2.072 (3)	C25—C26	1.395 (6)
Ru1—C1	2.022 (3)	C25—H251	1.000
P1—C9	1.844 (3)	C26—H261	1.000
P1—C15	1.821 (4)	C27—C28	1.394 (5)
P1—C21	1.838 (3)	C27—C32	1.394 (5)
P2—C10	1.857 (3)	C28—C29	1.393 (5)
P2—C27	1.834 (3)	C28—H281	1.000
P2—C33	1.851 (3)	C29—C30	1.382 (6)
P3—C11	1.845 (3)	C29—H291	1.000
P3—C39	1.830 (3)	C30—C31	1.382 (7)
P3—C45	1.826 (3)	C30—H301	1.000
P4—C12	1.864 (3)	C31—C32	1.387 (5)
P4—C51	1.829 (3)	C31—H311	1.000
P4—C57	1.836 (3)	C32—H321	1.000
P50—F10	1.580 (9)	C33—C34	1.389 (5)
P50—F20	1.566 (9)	C33—C38	1.397 (4)
P50—F30	1.553 (8)	C34—C35	1.389 (5)
P50—F40	1.579 (8)	C34—H341	1.000
P50—F50	1.546 (8)	C35—C36	1.384 (6)
P50—F60	1.507 (7)	C35—H351	1.000
P51—F11	1.578 (9)	C36—C37	1.378 (6)
P51—F21	1.576 (9)	C36—H361	1.000
P51—F31	1.582 (8)	C37—C38	1.397 (5)
P51—F41	1.549 (8)	C37—H371	1.000
P51—F51	1.533 (8)	C38—H381	1.000
P51—F61	1.508 (7)	C39—C40	1.397 (5)
O91—C90	1.137 (16)	C39—C44	1.397 (5)
O92—C90	1.285 (18)	C40—C41	1.398 (5)
N1—C13	1.152 (4)	C40—H401	1.000
C1—C2	1.212 (4)	C41—C42	1.381 (7)
C2—C3	1.438 (4)	C41—H411	1.000
C3—C4	1.400 (7)	C42—C43	1.386 (7)
C3—C8	1.403 (7)	C42—H421	1.000
C4—C5	1.387 (8)	C43—C44	1.384 (5)
C4—H41	1.000	C43—H431	1.000
C5—C6	1.340 (16)	C44—H441	1.000
C5—H51	1.000	C45—C46	1.392 (5)
C6—C7	1.383 (17)	C45—C50	1.398 (4)
C6—H61	1.000	C46—C47	1.397 (5)
C7—C8	1.404 (8)	C46—H461	1.000
C7—H71	1.000	C47—C48	1.360 (6)
C8—H81	1.000	C47—H471	1.000
C9—C10	1.515 (5)	C48—C49	1.388 (7)
C9—H91	1.000	C48—H481	1.000
C9—H92	1.000	C49—C50	1.387 (5)
C10—H101	1.000	C49—H491	1.000
C10—H102	1.000	C50—H501	1.000
C11—C12	1.514 (5)	C51—C52	1.394 (5)
C11—H111	1.000	C51—C56	1.401 (5)
C11—H112	1.000	C52—C53	1.398 (5)
C12—H121	1.000	C52—H521	1.000
C12—H122	1.000	C53—C54	1.374 (8)
C13—C14	1.445 (5)	C53—H531	1.000
C14—H141	1.000	C54—C55	1.369 (8)
C14—H142	1.000	C54—H541	1.000
C14—H143	1.000	C55—C56	1.393 (5)
C15—C16	1.380 (6)	C55—H551	1.000
C15—C20	1.399 (6)	C56—H561	1.000
C16—C17	1.381 (7)	C57—C58	1.383 (5)
C16—H161	1.000	C57—C62	1.395 (5)
C17—C18	1.395 (9)	C58—C59	1.403 (5)
C17—H171	1.000	C58—H581	1.000
C18—C19	1.346 (9)	C59—C60	1.387 (7)
C18—H181	1.000	C59—H591	1.000
C19—C20	1.406 (7)	C60—C61	1.369 (7)
C19—H191	1.000	C60—H601	1.000
C20—H201	1.000	C61—C62	1.399 (6)
C21—C22	1.383 (5)	C61—H611	1.000
C21—C26	1.392 (5)	C62—H621	1.000
C22—C23	1.385 (5)	C90—C90^i	1.500 (13)
C22—H221	1.000
F20···C29^ii	3.47 (2)	F51···O92^i	2.81 (2)
F20···C54^ii	3.48 (2)	F51···O91^i	2.88 (2)
F20···C53^ii	3.55 (1)	F51···C90^i	3.30 (1)
F21···C54^ii	3.22 (2)	F51···C90	3.54 (1)
F21···C53^ii	3.42 (1)	F51···C40	3.56 (1)
F30···C11	3.17 (1)	F60···C59^iii	3.28 (1)
F30···C12	3.45 (1)	F60···C54^ii	3.325 (9)
F30···C52	3.49 (1)	F61···C59^iii	3.26 (1)
F31···C11	3.18 (1)	F61···C54^ii	3.259 (9)
F40···C14	3.21 (1)	O91···C40^i	3.21 (1)
F40···C13	3.40 (1)	O91···C41^i	3.48 (1)
F40···C11	3.51 (1)	O91···C19^iv	3.54 (2)
F41···C14	3.17 (1)	O91···C39^i	3.57 (2)
F41···C40	3.22 (1)	O91···C50^i	3.57 (2)
F41···C13	3.31 (1)	O92···C50	3.26 (2)
F41···C11	3.42 (1)	O92···C49	3.35 (2)
F50···O92^i	3.02 (2)	C10···C32^v	3.521 (5)
F50···O91^i	3.05 (2)	C36···C48^vi	3.480 (7)
F50···C90	3.32 (1)	C48···C61^vii	3.426 (7)
F50···C90^i	3.36 (1)	C48···C60^vii	3.514 (5)
P1—Ru1—P2	81.46 (3)	C18—C19—H191	119.5
P1—Ru1—P3	97.30 (3)	C20—C19—H191	119.5
P2—Ru1—P3	176.24 (3)	C15—C20—C19	119.5 (5)
P1—Ru1—P4	178.35 (3)	C15—C20—H201	120.3
P2—Ru1—P4	99.75 (3)	C19—C20—H201	120.3
P3—Ru1—P4	81.56 (3)	P1—C21—C22	120.1 (3)
P1—Ru1—N1	91.54 (8)	P1—C21—C26	121.5 (3)
P2—Ru1—N1	91.58 (7)	C22—C21—C26	118.4 (3)
P3—Ru1—N1	84.89 (7)	C21—C22—C23	121.3 (4)
P4—Ru1—N1	89.54 (8)	C21—C22—H221	119.3
P1—Ru1—C1	82.91 (9)	C23—C22—H221	119.3
P2—Ru1—C1	83.29 (8)	C22—C23—C24	120.3 (4)
P3—Ru1—C1	100.11 (8)	C22—C23—H231	119.9
P4—Ru1—C1	96.11 (9)	C24—C23—H231	119.8
N1—Ru1—C1	172.93 (11)	C23—C24—C25	119.0 (4)
Ru1—P1—C9	107.74 (12)	C23—C24—H241	120.5
Ru1—P1—C15	117.06 (11)	C25—C24—H241	120.5
C9—P1—C15	105.41 (18)	C24—C25—C26	121.1 (4)
Ru1—P1—C21	120.90 (11)	C24—C25—H251	119.5
C9—P1—C21	100.66 (15)	C26—C25—H251	119.5
C15—P1—C21	102.98 (16)	C21—C26—C25	119.8 (4)
Ru1—P2—C10	106.72 (11)	C21—C26—H261	120.1
Ru1—P2—C27	117.6 (1)	C25—C26—H261	120.1
C10—P2—C27	105.80 (16)	P2—C27—C28	117.6 (2)
Ru1—P2—C33	123.1 (1)	P2—C27—C32	124.0 (3)
C10—P2—C33	100.22 (15)	C28—C27—C32	118.1 (3)
C27—P2—C33	101.02 (14)	C27—C28—C29	120.8 (3)
Ru1—P3—C11	103.90 (11)	C27—C28—H281	119.58
Ru1—P3—C39	120.91 (11)	C29—C28—H281	119.6
C11—P3—C39	102.81 (15)	C28—C29—C30	120.0 (4)
Ru1—P3—C45	123.03 (11)	C28—C29—H291	120.0
C11—P3—C45	100.17 (15)	C30—C29—H291	120.0
C39—P3—C45	102.32 (15)	C29—C30—C31	119.9 (4)
Ru1—P4—C12	108.46 (11)	C29—C30—H301	120.0
Ru1—P4—C51	113.1 (1)	C31—C30—H301	120.0
C12—P4—C51	103.92 (15)	C30—C31—C32	120.0 (4)
Ru1—P4—C57	127.43 (11)	C30—C31—H311	120.0
C12—P4—C57	98.85 (14)	C32—C31—H311	120.0
C51—P4—C57	102.19 (15)	C27—C32—C31	121.1 (4)
F10—P50—F20	90.7 (8)	C27—C32—H321	119.5
F10—P50—F30	88.9 (8)	C31—C32—H321	119.5
F20—P50—F30	84.4 (7)	P2—C33—C34	118.5 (2)
F10—P50—F40	174.8 (8)	P2—C33—C38	122.5 (3)
F20—P50—F40	85.1 (7)	C34—C33—C38	118.9 (3)
F10—P50—F50	93.1 (8)	C33—C34—C35	120.5 (3)
F20—P50—F50	174.3 (7)	C33—C34—H341	119.8
F10—P50—F60	84.4 (7)	C35—C34—H341	119.8
F20—P50—F60	88.3 (7)	C34—C35—C36	120.6 (4)
F30—P50—F40	87.6 (6)	C34—C35—H351	119.7
F30—P50—F50	91.5 (6)	C36—C35—H351	119.7
F40—P50—F50	90.9 (6)	C35—C36—C37	119.3 (4)
F30—P50—F60	170.1 (6)	C35—C36—H361	120.3
F40—P50—F60	98.6 (6)	C37—C36—H361	120.3
F50—P50—F60	96.2 (5)	C36—C37—C38	120.7 (3)
F11—P51—F21	94.1 (10)	C36—C37—H371	119.6
F11—P51—F31	89.5 (9)	C38—C37—H371	119.6
F21—P51—F31	95.0 (8)	C33—C38—C37	119.9 (3)
F11—P51—F41	177.9 (9)	C33—C38—H381	120.1
F21—P51—F41	86.4 (8)	C37—C38—H381	120.1
F11—P51—F51	93.5 (9)	P3—C39—C40	121.0 (3)
F21—P51—F51	172.4 (8)	P3—C39—C44	119.9 (3)
F11—P51—F61	87.5 (8)	C40—C39—C44	119.2 (3)
F21—P51—F61	89.5 (8)	C39—C40—C41	119.4 (4)
F31—P51—F41	92.5 (7)	C39—C40—H401	120.3
F31—P51—F51	84.7 (7)	C41—C40—H401	120.3
F41—P51—F51	86.1 (7)	C40—C41—C42	120.9 (4)
F31—P51—F61	174.8 (6)	C40—C41—H411	119.5
F41—P51—F61	90.5 (6)	C42—C41—H411	119.5
F51—P51—F61	91.2 (6)	C41—C42—C43	119.6 (4)
Ru1—N1—C13	174.5 (3)	C41—C42—H421	120.2
Ru1—C1—C2	171.3 (3)	C43—C42—H421	120.2
C1—C2—C3	177.5 (3)	C42—C43—C44	120.2 (4)
C2—C3—C4	120.3 (4)	C42—C43—H431	119.9
C2—C3—C8	120.4 (4)	C44—C43—H431	119.9
C4—C3—C8	119.3 (4)	C39—C44—C43	120.6 (4)
C3—C4—C5	119.1 (7)	C39—C44—H441	119.7
C3—C4—H41	120.4	C43—C44—H441	119.7
C5—C4—H41	120.4	P3—C45—C46	121.1 (2)
C4—C5—C6	123.0 (8)	P3—C45—C50	119.3 (3)
C4—C5—H51	118.5	C46—C45—C50	119.3 (3)
C6—C5—H51	118.5	C45—C46—C47	119.5 (3)
C5—C6—C7	118.4 (6)	C45—C46—H461	120.25
C5—C6—H61	120.8	C47—C46—H461	120.3
C7—C6—H61	120.8	C46—C47—C48	120.7 (4)
C6—C7—C8	121.9 (8)	C46—C47—H471	119.6
C6—C7—H71	119.0	C48—C47—H471	119.7
C8—C7—H71	119.1	C47—C48—C49	120.7 (4)
C3—C8—C7	118.3 (7)	C47—C48—H481	119.7
C3—C8—H81	120.9	C49—C48—H481	119.7
C7—C8—H81	120.8	C48—C49—C50	119.4 (4)
P1—C9—C10	115.3 (2)	C48—C49—H491	120.3
P1—C9—H91	108.00	C50—C49—H491	120.3
C10—C9—H91	108.0	C45—C50—C49	120.5 (4)
P1—C9—H92	108.00	C45—C50—H501	119.8
C10—C9—H92	108.00	C49—C50—H501	119.8
H91—C9—H92	109.467	P4—C51—C52	121.4 (3)
P2—C10—C9	114.6 (2)	P4—C51—C56	119.1 (3)
P2—C10—H101	108.18	C52—C51—C56	119.2 (3)
C9—C10—H101	108.2	C51—C52—C53	119.5 (4)
P2—C10—H102	108.17	C51—C52—H521	120.3
C9—C10—H102	108.17	C53—C52—H521	120.2
H101—C10—H102	109.467	C52—C53—C54	120.9 (4)
P3—C11—C12	108.1 (2)	C52—C53—H531	119.6
P3—C11—H111	109.82	C54—C53—H531	119.6
C12—C11—H111	109.82	C53—C54—C55	119.9 (4)
P3—C11—H112	109.81	C53—C54—H541	120.1
C12—C11—H112	109.80	C55—C54—H541	120.1
H111—C11—H112	109.467	C54—C55—C56	120.7 (4)
P4—C12—C11	111.3 (2)	C54—C55—H551	119.6
P4—C12—H121	109.02	C56—C55—H551	119.6
C11—C12—H121	109.01	C51—C56—C55	119.8 (4)
P4—C12—H122	109.0	C51—C56—H561	120.1
C11—C12—H122	109.03	C55—C56—H561	120.1
H121—C12—H122	109.467	P4—C57—C58	121.8 (3)
N1—C13—C14	178.2 (4)	P4—C57—C62	118.9 (3)
C13—C14—H141	108.1	C58—C57—C62	119.0 (3)
C13—C14—H142	109.8	C57—C58—C59	120.9 (4)
H141—C14—H142	109.816	C57—C58—H581	119.6
C13—C14—H143	109.8	C59—C58—H581	119.6
H141—C14—H143	109.816	C58—C59—C60	119.3 (4)
H142—C14—H143	109.467	C58—C59—H591	120.3
P1—C15—C16	119.1 (3)	C60—C59—H591	120.4
P1—C15—C20	122.2 (3)	C59—C60—C61	120.2 (4)
C16—C15—C20	118.7 (4)	C59—C60—H601	119.9
C15—C16—C17	121.0 (5)	C61—C60—H601	119.9
C15—C16—H161	119.5	C60—C61—C62	120.6 (4)
C17—C16—H161	119.5	C60—C61—H611	119.7
C16—C17—C18	119.9 (6)	C62—C61—H611	119.7
C16—C17—H171	120.0	C57—C62—C61	119.9 (4)
C18—C17—H171	120.1	C57—C62—H621	120.0
C17—C18—C19	119.9 (5)	C61—C62—H621	120.0
C17—C18—H181	120.0	O91—C90—C90^i	114.2 (10)
C19—C18—H181	120.1	O92—C90—C90^i	115.2 (10)
C18—C19—C20	120.9 (5)
Ru1—P1—C9—C10	−25.7 (3)	C4—C5—C6—C7	−1 (1)
Ru1—P1—C15—C16	−72.5 (3)	C5—C4—C3—C8	0.6 (7)
Ru1—P1—C15—C20	105.8 (3)	C5—C6—C7—C8	1 (1)
Ru1—P1—C21—C22	−32.7 (3)	C9—P1—C15—C16	167.8 (3)
Ru1—P1—C21—C26	148.8 (2)	C9—P1—C15—C20	−13.9 (3)
Ru1—P2—C10—C9	26.6 (3)	C9—P1—C21—C22	85.5 (3)
Ru1—P2—C27—C28	59.9 (3)	C9—P1—C21—C26	−92.9 (3)
Ru1—P2—C27—C32	−126.3 (3)	C9—C10—P2—C27	−99.5 (3)
Ru1—P2—C33—C34	55.0 (3)	C9—C10—P2—C33	155.9 (3)
Ru1—P2—C33—C38	−126.4 (2)	C10—P2—C27—C28	179.0 (3)
Ru1—P3—C11—C12	−55.9 (2)	C10—P2—C27—C32	−7.3 (3)
Ru1—P3—C39—C40	−83.9 (3)	C10—P2—C33—C34	−62.8 (3)
Ru1—P3—C39—C44	95.0 (3)	C10—P2—C33—C38	115.8 (3)
Ru1—P3—C45—C46	2.4 (3)	C10—C9—P1—C15	100.0 (3)
Ru1—P3—C45—C50	176.5 (2)	C10—C9—P1—C21	−153.2 (3)
Ru1—P4—C12—C11	−21.0 (3)	C11—P3—C39—C40	31.1 (3)
Ru1—P4—C51—C52	77.6 (3)	C11—P3—C39—C44	−150.0 (3)
Ru1—P4—C51—C56	−96.4 (3)	C11—P3—C45—C46	−111.7 (3)
Ru1—P4—C57—C58	−6.1 (3)	C11—P3—C45—C50	62.4 (3)
Ru1—P4—C57—C62	−179.7 (2)	C11—C12—P4—C51	99.5 (2)
P1—Ru1—P2—C10	−31.9 (1)	C11—C12—P4—C57	−155.5 (2)
P1—Ru1—P2—C27	86.7 (1)	C12—P4—C51—C52	−39.7 (3)
P1—Ru1—P2—C33	−146.6 (1)	C12—P4—C51—C56	146.2 (3)
P1—Ru1—P3—C11	−148.8 (1)	C12—P4—C57—C58	115.4 (3)
P1—Ru1—P3—C39	−34.4 (1)	C12—P4—C57—C62	−58.2 (3)
P1—Ru1—P3—C45	98.9 (1)	C12—C11—P3—C39	177.3 (2)
P1—C9—C10—P2	−0.9 (4)	C12—C11—P3—C45	72.1 (2)
P1—C15—C16—C17	−178.1 (4)	C15—P1—C21—C22	−165.7 (3)
P1—C15—C20—C19	−179.9 (4)	C15—P1—C21—C26	15.8 (3)
P1—C21—C22—C23	−178.4 (3)	C15—C16—C17—C18	−3.8 (8)
P1—C21—C26—C25	179.7 (3)	C15—C20—C19—C18	0.1 (8)
P2—Ru1—P1—C9	31.7 (1)	C16—C15—P1—C21	62.7 (3)
P2—Ru1—P1—C15	−86.8 (1)	C16—C15—C20—C19	−1.6 (6)
P2—Ru1—P1—C21	146.4 (1)	C16—C17—C18—C19	2.2 (9)
P2—Ru1—P4—C12	166.6 (1)	C17—C16—C15—C20	3.5 (7)
P2—Ru1—P4—C51	52.0 (1)	C17—C18—C19—C20	−0.4 (9)
P2—Ru1—P4—C57	−76.0 (1)	C20—C15—P1—C21	−119.0 (3)
P2—C27—C28—C29	171.6 (3)	C21—C22—C23—C24	−0.8 (7)
P2—C27—C32—C31	−171.7 (3)	C21—C26—C25—C24	−1.9 (7)
P2—C33—C34—C35	178.7 (3)	C22—C21—C26—C25	1.3 (6)
P2—C33—C38—C37	−179.0 (3)	C22—C23—C24—C25	0.2 (7)
P3—Ru1—P1—C9	−151.9 (1)	C23—C22—C21—C26	0.1 (6)
P3—Ru1—P1—C15	89.6 (1)	C23—C24—C25—C26	1.2 (7)
P3—Ru1—P1—C21	−37.2 (1)	C27—P2—C33—C34	−171.3 (3)
P3—Ru1—P4—C12	−9.8 (1)	C27—P2—C33—C38	7.3 (3)
P3—Ru1—P4—C51	−124.5 (1)	C27—C28—C29—C30	1.0 (6)
P3—Ru1—P4—C57	107.6 (1)	C27—C32—C31—C30	−0.1 (6)
P3—C11—C12—P4	49.6 (3)	C28—C27—P2—C33	−76.9 (3)
P3—C39—C40—C41	177.8 (3)	C28—C27—C32—C31	2.1 (5)
P3—C39—C44—C43	−177.5 (3)	C28—C29—C30—C31	1.0 (6)
P3—C45—C46—C47	173.2 (3)	C29—C28—C27—C32	−2.5 (5)
P3—C45—C50—C49	−172.2 (3)	C29—C30—C31—C32	−1.5 (6)
P4—Ru1—P2—C10	147.0 (1)	C32—C27—P2—C33	96.8 (3)
P4—Ru1—P2—C27	−94.5 (1)	C33—C34—C35—C36	0.3 (6)
P4—Ru1—P2—C33	32.3 (1)	C33—C38—C37—C36	0.3 (5)
P4—Ru1—P3—C11	32.4 (1)	C34—C33—C38—C37	−0.3 (5)
P4—Ru1—P3—C39	146.8 (1)	C34—C35—C36—C37	−0.3 (7)
P4—Ru1—P3—C45	−79.9 (1)	C35—C34—C33—C38	0.0 (5)
P4—C51—C52—C53	−173.0 (3)	C35—C36—C37—C38	0.0 (6)
P4—C51—C56—C55	173.4 (3)	C39—P3—C45—C46	142.7 (3)
P4—C57—C58—C59	−174.8 (3)	C39—P3—C45—C50	−43.2 (3)
P4—C57—C62—C61	174.0 (3)	C39—C40—C41—C42	0.4 (6)
N1—Ru1—P1—C9	123.1 (1)	C39—C44—C43—C42	−1.0 (6)
N1—Ru1—P1—C15	4.6 (1)	C40—C39—P3—C45	134.7 (3)
N1—Ru1—P1—C21	−122.2 (2)	C40—C39—C44—C43	1.4 (5)
N1—Ru1—P2—C10	−123.2 (1)	C40—C41—C42—C43	0.1 (7)
N1—Ru1—P2—C27	−4.7 (1)	C41—C40—C39—C44	−1.1 (5)
N1—Ru1—P2—C33	122.1 (1)	C41—C42—C43—C44	0.2 (7)
N1—Ru1—P3—C11	−57.9 (1)	C44—C39—P3—C45	−46.4 (3)
N1—Ru1—P3—C39	56.5 (1)	C45—C46—C47—C48	−0.8 (6)
N1—Ru1—P3—C45	−170.2 (1)	C45—C50—C49—C48	−1.5 (6)
N1—Ru1—P4—C12	75.1 (1)	C46—C45—C50—C49	2.0 (5)
N1—Ru1—P4—C51	−39.6 (1)	C46—C47—C48—C49	1.4 (7)
N1—Ru1—P4—C57	−167.5 (1)	C47—C46—C45—C50	−0.9 (5)
C1—Ru1—P1—C9	−52.5 (1)	C47—C48—C49—C50	−0.3 (7)
C1—Ru1—P1—C15	−171.0 (2)	C51—P4—C57—C58	−138.2 (3)
C1—Ru1—P1—C21	62.2 (2)	C51—P4—C57—C62	48.3 (3)
C1—Ru1—P2—C10	51.9 (1)	C51—C52—C53—C54	−0.5 (6)
C1—Ru1—P2—C27	170.5 (1)	C51—C56—C55—C54	−0.1 (6)
C1—Ru1—P2—C33	−62.8 (1)	C52—C51—P4—C57	−142.2 (3)
C1—Ru1—P3—C11	127.1 (1)	C52—C51—C56—C55	−0.8 (5)
C1—Ru1—P3—C39	−118.4 (2)	C52—C53—C54—C55	−0.4 (7)
C1—Ru1—P3—C45	14.9 (1)	C53—C52—C51—C56	1.1 (5)
C1—Ru1—P4—C12	−109.1 (1)	C53—C54—C55—C56	0.7 (7)
C1—Ru1—P4—C51	136.2 (2)	C56—C51—P4—C57	43.7 (3)
C1—Ru1—P4—C57	8.2 (1)	C57—C58—C59—C60	2.4 (5)
C2—C3—C4—C5	179.3 (4)	C57—C62—C61—C60	−0.4 (6)
C2—C3—C8—C7	−179.2 (5)	C58—C57—C62—C61	0.3 (5)
C3—C4—C5—C6	−0 (1)	C58—C59—C60—C61	−2.5 (6)
C3—C8—C7—C6	−0.2 (9)	C59—C58—C57—C62	−1.3 (5)
C4—C3—C8—C7	−0.5 (7)	C59—C60—C61—C62	1.6 (7)

Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) −x+1, −y, −z+1; (iii) x+1/2, −y+1/2, z−1/2; (iv) x+1/2, −y+1/2, z+1/2; (v) −x, −y, −z+1; (vi) −x+1/2, y−1/2, −z+3/2; (vii) −x+1/2, y+1/2, −z+3/2.