metal-organic compounds\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

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ISSN: 2056-9890

[1,1′-Bis(di­phenyl­phosphan­yl)cobalto­cenium]carbonyl­chloridohydrido(tri­phenyl­phosphane)ruthenium(II) hexa­fluoridophosphate di­chloro­methane disolvate

aDepartment of Biotic Environment, Nanchang Institute of Technology, Nanchang 330013, People's Republic of China
*Correspondence e-mail: hjg0715@yahoo.com.cn

(Received 2 October 2011; accepted 24 October 2011; online 5 November 2011)

In the title compound, [CoRu(C17H14P)2ClH(C18H15P)(CO)]PF6·2CH2Cl2, the RuII atom is coordinated by three P atoms from a chelating 1,1′-bis­(diphenyl­phosphan­yl)cobaltocenium ligand and a triphenyl­phosphine ligand, one CO ligand, one Cl atom and one H atom in a distorted octa­hedral geometry. In the cobaltocenium unit, the two cyclo­penta­dienyl rings are almost parallel, making a dihedral angle of 1.2 (3)°. The F atoms of the hexa­fluoridophosphate anion are disordered over two sets of sites, with an occupancy ratio of 0.849 (11):0.151 (11). Intra­molecular C—H⋯Cl hydrogen bonds occur in the complex cation. The complex cations, hexa­fluoridophosphate anions and dichloro­methane solvent mol­ecules are linked by inter­molecular C—H⋯F hydrogen bonds.

Related literature

For a related structure, see: Santos et al. (1994[Santos, A., Montoya, J., Noheda, P., Romero, A. & Echavarren, A. M. (1994). Organometallics, 13, 3605-3615.]).

[Scheme 1]

Experimental

Crystal data
  • [CoRu(C17H14P)2ClH(C18H15P)(CO)]PF6·2CH2Cl2

  • Mr = 1300.06

  • Orthorhombic, P n a 21

  • a = 22.5676 (19) Å

  • b = 22.0330 (18) Å

  • c = 11.0614 (9) Å

  • V = 5500.1 (8) Å3

  • Z = 4

  • Mo Kα radiation

  • μ = 1.00 mm−1

  • T = 292 K

  • 0.30 × 0.30 × 0.20 mm

Data collection
  • Bruker APEX CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.755, Tmax = 0.826

  • 63147 measured reflections

  • 13058 independent reflections

  • 11469 reflections with I > 2σ(I)

  • Rint = 0.065

Refinement
  • R[F2 > 2σ(F2)] = 0.048

  • wR(F2) = 0.113

  • S = 1.01

  • 13058 reflections

  • 687 parameters

  • 21 restraints

  • H atoms treated by a mixture of independent and constrained refinement

  • Δρmax = 0.77 e Å−3

  • Δρmin = −0.37 e Å−3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), 6103 Friedel pairs

  • Flack parameter: −0.002 (16)

Table 1
Selected bond lengths (Å)

Ru1—P1 2.4827 (10)
Ru1—P2 2.3340 (10)
Ru1—P3 2.3768 (10)
Ru1—Cl1 2.4736 (11)
Ru1—H1A 1.80 (3)
Ru1—C35 1.877 (6)

Table 2
Hydrogen-bond geometry (Å, °)

D—H⋯A D—H H⋯A DA D—H⋯A
C3—H3⋯F2i 0.93 2.35 3.230 (9) 157
C7—H7⋯F3i 0.93 2.51 3.383 (8) 156
C16—H16⋯Cl1 0.93 2.57 3.414 (5) 151
C37—H37⋯Cl1 0.93 2.77 3.584 (4) 147
C46—H46⋯F2ii 0.93 2.54 3.219 (10) 130
C55—H55A⋯F3iii 0.97 2.42 3.140 (12) 131
Symmetry codes: (i) [-x+1, -y, z-{\script{1\over 2}}]; (ii) [x+{\script{1\over 2}}, -y+{\script{1\over 2}}, z]; (iii) [-x+1, -y, z+{\script{1\over 2}}].

Data collection: SMART (Bruker, 2007[Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2007[Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: XP in SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXTL.

Supporting information


Comment top

The overall geometry of the title compound (Fig. 1) is similar to that of [Ru(CO)HCl(PPh3)(dppf)] [dppf = 1,1'-bis(diphenylphosphanyl)ferrocene] (Santos et al., 1994). The distances of Ru—P [2.3340 (10) and 2.4827 (10) Å] (Table 1) are slightly shorter than those found in the dppf analogue [2.392 (4) and 2.518 (4) Å]. The P1—Ru1—P2 chelate angle of 105.47 (3)° in the title compound is larger than that in the dppf analogue [102.2 (1)°]. The cyclopentadienyl (Cp) rings are symmetrically disposed about the Co atom and the dihedral angle between the two Cp rings is 1.2 (3)° [3.1 (5)° in the dppf analogue]. The complex cations, hexafluoridophosphate anions and dichloromethane molecules are linked by intermolecular C—H···F hydrogen bonds (Table 2), as shown in Fig. 2.

Related literature top

For a related structure, see: Santos et al. (1994).

Experimental top

A mixture of 1,1'-bis(diphenylphosphanyl)cobaltocenium hexafluoridophosphate (0.562 g, 0.8 mmol) and RuHCl(CO)(PPh3)3 (0.761 g, 0.8 mmol) was refluxed in CH2Cl2 (30 ml) for 3 h. The solution was evaporated and the residue was chromatographed on alumina by elution with CH2Cl2, giving the the title compound as a red solid (yield: 0.724, 82%). Crystals suitable for data collection were obtained by slow evaporation from a dichloromethane and hexane solution at room temperature.

Refinement top

H atoms bound to C atoms were placed in geometrically idealized positions and refined as riding atoms, with C—H = 0.93 (CH) and 0.97 (CH2) Å and with Uiso(H) = 1.2Ueq(C). H atom bound to Ru atom was located from a difference Fourier map and refined isotropically. F atoms of the PF6 anion are disordered over two sets of positions, with an occupancy ratio of 0.849 (11):0.151 (11). The P—F distances were refined by using DFIX command.

Structure description top

The overall geometry of the title compound (Fig. 1) is similar to that of [Ru(CO)HCl(PPh3)(dppf)] [dppf = 1,1'-bis(diphenylphosphanyl)ferrocene] (Santos et al., 1994). The distances of Ru—P [2.3340 (10) and 2.4827 (10) Å] (Table 1) are slightly shorter than those found in the dppf analogue [2.392 (4) and 2.518 (4) Å]. The P1—Ru1—P2 chelate angle of 105.47 (3)° in the title compound is larger than that in the dppf analogue [102.2 (1)°]. The cyclopentadienyl (Cp) rings are symmetrically disposed about the Co atom and the dihedral angle between the two Cp rings is 1.2 (3)° [3.1 (5)° in the dppf analogue]. The complex cations, hexafluoridophosphate anions and dichloromethane molecules are linked by intermolecular C—H···F hydrogen bonds (Table 2), as shown in Fig. 2.

For a related structure, see: Santos et al. (1994).

Computing details top

Data collection: SMART (Bruker, 2007); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT (Bruker, 2007); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: XP in SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures top
[Figure 1] Fig. 1. The molecular structure of the title compound with 30% probability displacement ellipsoids.
[Figure 2] Fig. 2. Crystal packing of the title compound. Dashed lines denote hydrogen bonds.
[1,1'-Bis(diphenylphosphanyl)cobaltocenium]carbonylchloridohydrido (triphenylphosphane)ruthenium(II) hexafluoridophosphate dichloromethane disolvate top
Crystal data top
[CoRu(C17H14P)2ClH(C18H15P)(CO)]PF6·2CH2Cl2F(000) = 2624
Mr = 1300.06Dx = 1.570 Mg m3
Orthorhombic, Pna21Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2c -2nCell parameters from 6748 reflections
a = 22.5676 (19) Åθ = 2.3–26.5°
b = 22.0330 (18) ŵ = 1.00 mm1
c = 11.0614 (9) ÅT = 292 K
V = 5500.1 (8) Å3Block, red
Z = 40.30 × 0.30 × 0.20 mm
Data collection top
Bruker APEX CCD
diffractometer
13058 independent reflections
Radiation source: fine-focus sealed tube11469 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.065
φ and ω scansθmax = 28.0°, θmin = 1.3°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 2929
Tmin = 0.755, Tmax = 0.826k = 2829
63147 measured reflectionsl = 1414
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.048H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.113 w = 1/[σ2(Fo2) + (0.0706P)2]
where P = (Fo2 + 2Fc2)/3
S = 1.01(Δ/σ)max = 0.003
13058 reflectionsΔρmax = 0.77 e Å3
687 parametersΔρmin = 0.37 e Å3
21 restraintsAbsolute structure: Flack (1983), 6103 Friedel pairs
Primary atom site location: structure-invariant direct methodsAbsolute structure parameter: 0.002 (16)
Crystal data top
[CoRu(C17H14P)2ClH(C18H15P)(CO)]PF6·2CH2Cl2V = 5500.1 (8) Å3
Mr = 1300.06Z = 4
Orthorhombic, Pna21Mo Kα radiation
a = 22.5676 (19) ŵ = 1.00 mm1
b = 22.0330 (18) ÅT = 292 K
c = 11.0614 (9) Å0.30 × 0.30 × 0.20 mm
Data collection top
Bruker APEX CCD
diffractometer
13058 independent reflections
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
11469 reflections with I > 2σ(I)
Tmin = 0.755, Tmax = 0.826Rint = 0.065
63147 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.048H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.113Δρmax = 0.77 e Å3
S = 1.01Δρmin = 0.37 e Å3
13058 reflectionsAbsolute structure: Flack (1983), 6103 Friedel pairs
687 parametersAbsolute structure parameter: 0.002 (16)
21 restraints
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Ru10.807544 (10)0.117418 (11)0.00670 (3)0.03061 (7)
Co10.64291 (2)0.01913 (3)0.05879 (6)0.05011 (15)
O10.76093 (14)0.17429 (16)0.2091 (3)0.0562 (8)
P10.78135 (4)0.01605 (4)0.07548 (9)0.0350 (2)
P20.72515 (4)0.14833 (5)0.11840 (9)0.0354 (2)
P30.90857 (4)0.12687 (4)0.05105 (10)0.03431 (19)
P40.55748 (6)0.09733 (7)0.43100 (18)0.0721 (4)
Cl10.84493 (5)0.07930 (5)0.20272 (10)0.0481 (2)
Cl20.83826 (13)0.32376 (11)0.2555 (3)0.1414 (10)
Cl30.75697 (11)0.39945 (9)0.1218 (2)0.1104 (6)
Cl40.42940 (16)0.10480 (11)1.0041 (3)0.1572 (11)
Cl50.33733 (17)0.12977 (12)0.8247 (3)0.1432 (10)
F10.5722 (3)0.1550 (3)0.5067 (12)0.183 (5)0.849 (11)
F20.49334 (19)0.1220 (3)0.4036 (9)0.112 (3)0.849 (11)
F30.5436 (3)0.0395 (2)0.3517 (6)0.130 (3)0.849 (11)
F40.5321 (3)0.0584 (4)0.5383 (7)0.143 (3)0.849 (11)
F50.5813 (3)0.1310 (3)0.3171 (7)0.153 (4)0.849 (11)
F60.62033 (18)0.0705 (2)0.4637 (9)0.116 (3)0.849 (11)
F1'0.5772 (13)0.1014 (12)0.5673 (11)0.139 (16)*0.151 (11)
F2'0.4985 (10)0.1319 (19)0.464 (3)0.109 (16)*0.151 (11)
F3'0.530 (2)0.0986 (16)0.301 (2)0.21 (3)*0.151 (11)
F4'0.5244 (11)0.0366 (7)0.459 (2)0.085 (9)*0.151 (11)
F5'0.5825 (9)0.1632 (5)0.410 (2)0.070 (8)*0.151 (11)
F6'0.6186 (7)0.0706 (10)0.388 (3)0.082 (9)*0.151 (11)
C10.6549 (2)0.0339 (3)0.1215 (4)0.0609 (13)
H10.65890.07140.15930.073*
C20.6002 (2)0.0023 (4)0.0996 (6)0.081 (2)
H20.56260.01590.12070.097*
C30.6131 (3)0.0525 (3)0.0413 (6)0.0809 (19)
H30.58550.08140.01720.097*
C40.6754 (2)0.0567 (2)0.0250 (5)0.0625 (14)
H40.69560.08870.01130.075*
C50.70195 (17)0.0025 (2)0.0747 (4)0.0453 (9)
C60.60633 (19)0.0914 (3)0.1470 (5)0.0566 (12)
H60.58390.12240.11310.068*
C70.5844 (2)0.0370 (3)0.1941 (5)0.0705 (16)
H70.54470.02570.19540.085*
C80.6314 (3)0.0024 (3)0.2388 (5)0.0682 (15)
H80.62860.03520.27630.082*
C90.6848 (2)0.0357 (2)0.2164 (4)0.0497 (10)
H90.72300.02300.23570.060*
C100.66962 (18)0.0909 (2)0.1602 (4)0.0445 (9)
C110.80871 (18)0.05791 (19)0.0207 (4)0.0428 (10)
C120.8119 (2)0.1084 (2)0.0977 (5)0.0564 (12)
H120.79890.10520.17730.068*
C130.8340 (3)0.1624 (2)0.0560 (7)0.0755 (16)
H130.83710.19530.10850.091*
C140.8517 (3)0.1687 (3)0.0608 (7)0.0799 (17)
H140.86660.20560.08800.096*
C150.8472 (3)0.1195 (3)0.1397 (6)0.0765 (18)
H150.85840.12360.22020.092*
C160.8262 (2)0.0651 (2)0.0975 (5)0.0541 (11)
H160.82370.03230.15010.065*
C170.79845 (17)0.01169 (17)0.2384 (4)0.0377 (8)
C180.85440 (18)0.00775 (18)0.2743 (4)0.0427 (9)
H180.88130.02110.21650.051*
C190.8705 (2)0.0074 (2)0.3957 (4)0.0511 (10)
H190.90770.02130.41870.061*
C200.8317 (2)0.0133 (2)0.4814 (4)0.0557 (11)
H200.84250.01350.56260.067*
C210.7770 (2)0.0337 (2)0.4468 (5)0.0560 (11)
H210.75100.04870.50490.067*
C220.7597 (2)0.0325 (2)0.3266 (4)0.0488 (10)
H220.72200.04570.30490.059*
C230.68043 (17)0.2102 (2)0.0536 (4)0.0445 (9)
C240.6469 (2)0.2018 (3)0.0477 (5)0.0652 (13)
H240.64580.16350.08310.078*
C250.6146 (2)0.2482 (3)0.0995 (6)0.0781 (17)
H250.59140.24090.16750.094*
C260.6167 (3)0.3041 (3)0.0512 (6)0.0813 (19)
H260.59490.33540.08570.098*
C270.6514 (3)0.3153 (3)0.0504 (6)0.0809 (18)
H270.65340.35410.08300.097*
C280.6831 (2)0.2677 (2)0.1028 (5)0.0634 (13)
H280.70610.27480.17120.076*
C290.74319 (17)0.17725 (18)0.2695 (4)0.0382 (8)
C300.7073 (2)0.16652 (19)0.3673 (4)0.0471 (10)
H300.67260.14430.35760.056*
C310.7225 (2)0.1889 (2)0.4814 (4)0.0599 (12)
H310.69900.17970.54800.072*
C320.7717 (2)0.2239 (2)0.4953 (5)0.0605 (12)
H320.78130.23930.57110.073*
C330.8066 (2)0.2365 (2)0.3991 (5)0.0600 (13)
H330.83970.26110.40890.072*
C340.7934 (2)0.2129 (2)0.2860 (4)0.0502 (10)
H340.81830.22100.22080.060*
C350.77785 (19)0.1531 (2)0.1350 (5)0.0460 (10)
C360.95425 (15)0.05945 (17)0.0759 (4)0.0364 (8)
C370.94499 (17)0.00857 (17)0.0058 (4)0.0415 (8)
H370.91560.00910.05310.050*
C380.9788 (2)0.04324 (19)0.0216 (4)0.0510 (11)
H380.97220.07710.02660.061*
C391.0221 (2)0.0445 (2)0.1085 (4)0.0552 (12)
H391.04420.07960.12030.066*
C401.0328 (2)0.0054 (2)0.1776 (4)0.0539 (11)
H401.06270.00460.23550.065*
C410.99896 (18)0.0579 (2)0.1619 (4)0.0473 (10)
H411.00640.09190.20920.057*
C420.92323 (16)0.16867 (19)0.1895 (4)0.0439 (9)
C430.8969 (2)0.1482 (2)0.2964 (4)0.0474 (10)
H430.86870.11750.29280.057*
C440.9117 (2)0.1726 (3)0.4066 (5)0.0637 (13)
H440.89440.15780.47710.076*
C450.9517 (3)0.2187 (3)0.4118 (6)0.0833 (19)
H450.96160.23540.48630.100*
C460.9776 (3)0.2407 (3)0.3096 (7)0.093 (2)
H461.00490.27220.31540.112*
C470.9640 (2)0.2167 (3)0.1971 (6)0.0685 (15)
H470.98160.23220.12760.082*
C480.95041 (16)0.16744 (18)0.0672 (4)0.0421 (8)
C490.9954 (2)0.1391 (2)0.1317 (4)0.0539 (11)
H491.00550.09910.11380.065*
C501.0254 (2)0.1694 (3)0.2218 (5)0.0656 (14)
H501.05490.14960.26510.079*
C511.0120 (3)0.2281 (3)0.2481 (6)0.0745 (15)
H511.03280.24860.30810.089*
C520.9678 (3)0.2571 (3)0.1859 (7)0.0850 (19)
H520.95850.29720.20390.102*
C530.9365 (2)0.2265 (2)0.0952 (6)0.0655 (14)
H530.90620.24620.05390.079*
C540.7753 (4)0.3264 (3)0.1644 (11)0.122 (3)
H54A0.78200.30220.09250.147*
H54B0.74220.30870.20790.147*
C550.3782 (6)0.0762 (4)0.8963 (12)0.170 (5)
H55A0.39980.05320.83610.204*
H55B0.35140.04840.93690.204*
H1A0.827 (2)0.1904 (12)0.069 (5)0.074 (15)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ru10.02449 (11)0.03693 (13)0.03043 (13)0.00218 (10)0.00054 (12)0.00293 (13)
Co10.0344 (3)0.0712 (4)0.0447 (3)0.0147 (3)0.0085 (2)0.0130 (3)
O10.0506 (18)0.065 (2)0.053 (2)0.0084 (15)0.0015 (16)0.0015 (17)
P10.0318 (4)0.0421 (5)0.0311 (5)0.0036 (4)0.0027 (4)0.0000 (4)
P20.0280 (4)0.0456 (5)0.0326 (5)0.0035 (4)0.0006 (4)0.0009 (4)
P30.0261 (4)0.0372 (5)0.0397 (5)0.0002 (3)0.0014 (4)0.0030 (4)
P40.0455 (7)0.0763 (9)0.0946 (11)0.0020 (7)0.0003 (7)0.0056 (9)
Cl10.0452 (5)0.0550 (6)0.0441 (5)0.0093 (4)0.0032 (4)0.0040 (4)
Cl20.1271 (18)0.1176 (17)0.179 (3)0.0031 (14)0.0063 (18)0.0646 (18)
Cl30.1264 (16)0.0810 (10)0.1236 (17)0.0072 (11)0.0042 (13)0.0066 (11)
Cl40.222 (3)0.1184 (16)0.131 (2)0.0118 (18)0.028 (3)0.0147 (18)
Cl50.187 (3)0.1144 (17)0.128 (2)0.0131 (18)0.011 (2)0.0096 (15)
F10.106 (4)0.158 (6)0.286 (14)0.021 (4)0.034 (6)0.139 (8)
F20.053 (2)0.128 (5)0.157 (7)0.006 (2)0.007 (3)0.065 (5)
F30.140 (5)0.108 (4)0.141 (6)0.024 (3)0.041 (4)0.013 (4)
F40.098 (4)0.214 (7)0.116 (5)0.014 (4)0.009 (3)0.073 (5)
F50.134 (5)0.144 (5)0.181 (8)0.007 (4)0.072 (5)0.065 (5)
F60.054 (2)0.106 (3)0.189 (8)0.010 (2)0.026 (3)0.015 (4)
C10.040 (2)0.106 (4)0.037 (2)0.001 (2)0.0023 (18)0.013 (2)
C20.039 (3)0.143 (6)0.061 (4)0.013 (3)0.000 (2)0.042 (4)
C30.062 (3)0.099 (4)0.081 (4)0.042 (3)0.021 (3)0.037 (4)
C40.061 (3)0.065 (3)0.062 (3)0.026 (2)0.024 (2)0.020 (2)
C50.0358 (19)0.062 (3)0.038 (2)0.0064 (18)0.0068 (17)0.0129 (19)
C60.037 (2)0.079 (3)0.053 (3)0.002 (2)0.0076 (19)0.018 (2)
C70.049 (3)0.099 (4)0.063 (3)0.028 (3)0.031 (3)0.025 (3)
C80.077 (4)0.080 (3)0.047 (3)0.025 (3)0.021 (3)0.004 (3)
C90.051 (2)0.057 (3)0.041 (2)0.010 (2)0.0069 (19)0.0016 (19)
C100.0357 (19)0.061 (3)0.037 (2)0.0056 (19)0.0066 (16)0.0105 (18)
C110.046 (2)0.047 (2)0.036 (3)0.0072 (17)0.0067 (16)0.0079 (15)
C120.068 (3)0.047 (2)0.053 (3)0.010 (2)0.006 (2)0.004 (2)
C130.096 (4)0.043 (3)0.088 (4)0.008 (3)0.003 (4)0.008 (3)
C140.094 (4)0.050 (3)0.096 (5)0.003 (3)0.002 (4)0.023 (3)
C150.088 (4)0.069 (4)0.073 (4)0.010 (3)0.012 (3)0.032 (3)
C160.057 (3)0.051 (3)0.055 (3)0.011 (2)0.001 (2)0.006 (2)
C170.038 (2)0.0389 (19)0.036 (2)0.0054 (15)0.0045 (15)0.0009 (15)
C180.043 (2)0.046 (2)0.039 (2)0.0031 (16)0.0024 (16)0.0051 (17)
C190.055 (3)0.049 (2)0.049 (3)0.001 (2)0.015 (2)0.0035 (19)
C200.066 (3)0.065 (3)0.036 (2)0.003 (2)0.009 (2)0.003 (2)
C210.062 (3)0.064 (3)0.042 (2)0.006 (2)0.009 (2)0.010 (2)
C220.046 (2)0.058 (3)0.042 (2)0.0084 (19)0.0040 (18)0.0006 (19)
C230.0315 (18)0.060 (3)0.042 (2)0.0141 (17)0.0060 (16)0.0057 (19)
C240.049 (3)0.085 (3)0.062 (3)0.013 (2)0.015 (2)0.001 (3)
C250.055 (3)0.117 (5)0.062 (3)0.026 (3)0.005 (3)0.012 (3)
C260.065 (3)0.103 (5)0.076 (4)0.046 (3)0.011 (3)0.036 (4)
C270.094 (4)0.069 (3)0.080 (4)0.039 (3)0.007 (4)0.014 (3)
C280.069 (3)0.066 (3)0.055 (3)0.022 (3)0.001 (2)0.008 (2)
C290.040 (2)0.040 (2)0.035 (2)0.0078 (16)0.0061 (16)0.0026 (15)
C300.054 (2)0.047 (2)0.040 (2)0.0026 (19)0.0006 (19)0.0013 (18)
C310.078 (3)0.062 (3)0.039 (3)0.011 (2)0.002 (2)0.003 (2)
C320.075 (3)0.065 (3)0.041 (3)0.009 (2)0.018 (3)0.012 (2)
C330.059 (3)0.061 (3)0.060 (3)0.003 (2)0.012 (2)0.007 (2)
C340.046 (2)0.062 (3)0.043 (2)0.003 (2)0.0042 (18)0.007 (2)
C350.039 (2)0.046 (2)0.053 (3)0.0035 (18)0.013 (2)0.007 (2)
C360.0266 (16)0.0425 (19)0.040 (2)0.0051 (14)0.0034 (15)0.0043 (16)
C370.0382 (18)0.0457 (19)0.041 (2)0.0037 (15)0.0043 (18)0.0010 (19)
C380.053 (2)0.041 (2)0.060 (3)0.0029 (18)0.0057 (19)0.0033 (18)
C390.054 (3)0.057 (3)0.056 (3)0.023 (2)0.008 (2)0.013 (2)
C400.045 (2)0.072 (3)0.045 (2)0.019 (2)0.0067 (19)0.005 (2)
C410.038 (2)0.058 (2)0.045 (2)0.0104 (18)0.0068 (17)0.0073 (19)
C420.0304 (18)0.048 (2)0.053 (2)0.0021 (16)0.0068 (17)0.0169 (19)
C430.048 (2)0.048 (2)0.047 (2)0.0059 (18)0.0045 (19)0.0071 (19)
C440.062 (3)0.078 (3)0.051 (3)0.015 (3)0.009 (2)0.021 (2)
C450.068 (3)0.111 (5)0.070 (4)0.004 (3)0.005 (3)0.044 (4)
C460.066 (4)0.108 (5)0.105 (5)0.032 (3)0.002 (4)0.064 (4)
C470.052 (3)0.070 (3)0.084 (4)0.022 (2)0.015 (3)0.036 (3)
C480.0305 (17)0.048 (2)0.048 (2)0.0059 (16)0.0017 (17)0.0001 (19)
C490.051 (2)0.058 (3)0.054 (3)0.005 (2)0.007 (2)0.001 (2)
C500.057 (3)0.075 (3)0.065 (3)0.014 (2)0.019 (2)0.006 (3)
C510.068 (3)0.091 (4)0.064 (3)0.024 (3)0.008 (3)0.014 (3)
C520.075 (4)0.060 (3)0.120 (5)0.010 (3)0.016 (4)0.039 (4)
C530.048 (3)0.060 (3)0.088 (4)0.001 (2)0.012 (2)0.017 (3)
C540.127 (7)0.070 (4)0.170 (10)0.001 (4)0.015 (7)0.003 (5)
C550.255 (14)0.084 (6)0.171 (12)0.009 (7)0.000 (11)0.053 (7)
Geometric parameters (Å, º) top
Ru1—P12.4827 (10)C17—C221.389 (6)
Ru1—P22.3340 (10)C17—C181.391 (6)
Ru1—P32.3768 (10)C18—C191.391 (6)
Ru1—Cl12.4736 (11)C18—H180.9300
Ru1—H1A1.80 (3)C19—C201.369 (7)
Ru1—C351.877 (6)C19—H190.9300
Co1—C92.017 (5)C20—C211.370 (7)
Co1—C102.030 (4)C20—H200.9300
Co1—C22.034 (5)C21—C221.387 (7)
Co1—C72.034 (5)C21—H210.9300
Co1—C12.039 (5)C22—H220.9300
Co1—C32.041 (5)C23—C241.365 (7)
Co1—C62.041 (5)C23—C281.381 (7)
Co1—C82.042 (5)C24—C251.382 (8)
Co1—C52.045 (4)C24—H240.9300
Co1—C42.046 (5)C25—C261.342 (9)
O1—C351.017 (6)C25—H250.9300
P1—C51.838 (4)C26—C271.391 (10)
P1—C111.845 (4)C26—H260.9300
P1—C171.845 (4)C27—C281.396 (7)
P2—C291.835 (4)C27—H270.9300
P2—C101.841 (4)C28—H280.9300
P2—C231.841 (4)C29—C301.372 (6)
P3—C421.817 (4)C29—C341.392 (6)
P3—C361.829 (4)C30—C311.398 (6)
P3—C481.845 (4)C30—H300.9300
P4—F51.557 (5)C31—C321.360 (7)
P4—F11.557 (5)C31—H310.9300
P4—F4'1.563 (8)C32—C331.353 (8)
P4—F3'1.568 (8)C32—H320.9300
P4—F41.572 (5)C33—C341.386 (7)
P4—F6'1.573 (9)C33—H330.9300
P4—F5'1.574 (8)C34—H340.9300
P4—F1'1.574 (8)C36—C371.379 (6)
P4—F21.576 (4)C36—C411.387 (5)
P4—F2'1.576 (9)C37—C381.385 (6)
P4—F31.578 (5)C37—H370.9300
P4—F61.579 (4)C38—C391.370 (7)
Cl2—C541.744 (10)C38—H380.9300
Cl3—C541.727 (8)C39—C401.362 (7)
Cl4—C551.776 (12)C39—H390.9300
Cl5—C551.694 (12)C40—C411.396 (6)
C1—C51.429 (7)C40—H400.9300
C1—C21.438 (8)C41—H410.9300
C1—H10.9300C42—C431.398 (7)
C2—C31.399 (10)C42—C471.404 (6)
C2—H20.9300C43—C441.374 (7)
C3—C41.420 (9)C43—H430.9300
C3—H30.9300C44—C451.361 (8)
C4—C51.444 (7)C44—H440.9300
C4—H40.9300C45—C461.361 (10)
C6—C71.396 (8)C45—H450.9300
C6—C101.436 (6)C46—C471.387 (8)
C6—H60.9300C46—H460.9300
C7—C81.398 (9)C47—H470.9300
C7—H70.9300C48—C531.373 (6)
C8—C91.432 (7)C48—C491.390 (6)
C8—H80.9300C49—C501.377 (7)
C9—C101.409 (7)C49—H490.9300
C9—H90.9300C50—C511.361 (8)
C11—C161.375 (7)C50—H500.9300
C11—C121.402 (7)C51—C521.369 (9)
C12—C131.372 (7)C51—H510.9300
C12—H120.9300C52—C531.400 (8)
C13—C141.359 (10)C52—H520.9300
C13—H130.9300C53—H530.9300
C14—C151.396 (10)C54—H54A0.9700
C14—H140.9300C54—H54B0.9700
C15—C161.370 (7)C55—H55A0.9700
C15—H150.9300C55—H55B0.9700
C16—H160.9300
C35—Ru1—P292.03 (12)C9—C8—H8126.3
C35—Ru1—P394.66 (12)Co1—C8—H8127.2
P2—Ru1—P3151.74 (4)C10—C9—C8108.2 (5)
C35—Ru1—Cl1174.78 (13)C10—C9—Co170.1 (3)
P2—Ru1—Cl184.65 (4)C8—C9—Co170.3 (3)
P3—Ru1—Cl186.45 (4)C10—C9—H9125.9
C35—Ru1—P189.21 (13)C8—C9—H9125.9
P2—Ru1—P1105.47 (3)Co1—C9—H9125.3
P3—Ru1—P1102.05 (3)C9—C10—C6107.1 (4)
Cl1—Ru1—P195.55 (4)C9—C10—P2122.6 (3)
C35—Ru1—H1A91.6 (19)C6—C10—P2130.3 (4)
P2—Ru1—H1A74.2 (17)C9—C10—Co169.2 (3)
P3—Ru1—H1A78.2 (17)C6—C10—Co169.8 (3)
Cl1—Ru1—H1A84 (2)P2—C10—Co1126.8 (2)
P1—Ru1—H1A179 (2)C16—C11—C12118.1 (4)
C9—Co1—C1040.74 (19)C16—C11—P1120.7 (4)
C9—Co1—C2179.7 (2)C12—C11—P1121.2 (3)
C10—Co1—C2139.4 (3)C13—C12—C11120.2 (5)
C9—Co1—C768.5 (2)C13—C12—H12119.9
C10—Co1—C768.61 (18)C11—C12—H12119.9
C2—Co1—C7111.2 (2)C14—C13—C12121.0 (6)
C9—Co1—C1139.00 (19)C14—C13—H13119.5
C10—Co1—C1112.1 (2)C12—C13—H13119.5
C2—Co1—C141.3 (2)C13—C14—C15119.5 (6)
C7—Co1—C1140.7 (2)C13—C14—H14120.2
C9—Co1—C3139.7 (3)C15—C14—H14120.2
C10—Co1—C3178.0 (2)C16—C15—C14119.5 (6)
C2—Co1—C340.1 (3)C16—C15—H15120.3
C7—Co1—C3109.6 (2)C14—C15—H15120.3
C1—Co1—C368.7 (3)C15—C16—C11121.6 (5)
C9—Co1—C668.6 (2)C15—C16—H16119.2
C10—Co1—C641.30 (18)C11—C16—H16119.2
C2—Co1—C6111.3 (3)C22—C17—C18118.2 (4)
C7—Co1—C640.1 (2)C22—C17—P1122.5 (3)
C1—Co1—C6113.3 (2)C18—C17—P1119.0 (3)
C3—Co1—C6136.8 (2)C19—C18—C17120.8 (4)
C9—Co1—C841.3 (2)C19—C18—H18119.6
C10—Co1—C868.8 (2)C17—C18—H18119.6
C2—Co1—C8138.3 (3)C20—C19—C18120.2 (4)
C7—Co1—C840.1 (3)C20—C19—H19119.9
C1—Co1—C8178.8 (3)C18—C19—H19119.9
C3—Co1—C8110.4 (3)C19—C20—C21119.5 (4)
C6—Co1—C867.9 (2)C19—C20—H20120.2
C9—Co1—C5111.13 (18)C21—C20—H20120.2
C10—Co1—C5112.78 (16)C20—C21—C22121.0 (4)
C2—Co1—C569.2 (2)C20—C21—H21119.5
C7—Co1—C5177.6 (2)C22—C21—H21119.5
C1—Co1—C540.97 (19)C21—C22—C17120.2 (4)
C3—Co1—C569.06 (19)C21—C22—H22119.9
C6—Co1—C5142.2 (2)C17—C22—H22119.9
C8—Co1—C5138.1 (2)C24—C23—C28118.2 (4)
C9—Co1—C4111.7 (2)C24—C23—P2121.6 (4)
C10—Co1—C4141.21 (19)C28—C23—P2120.1 (4)
C2—Co1—C468.3 (3)C23—C24—C25122.2 (6)
C7—Co1—C4136.4 (2)C23—C24—H24118.9
C1—Co1—C468.9 (2)C25—C24—H24118.9
C3—Co1—C440.7 (2)C26—C25—C24119.7 (6)
C6—Co1—C4176.34 (19)C26—C25—H25120.2
C8—Co1—C4109.9 (2)C24—C25—H25120.2
C5—Co1—C441.34 (18)C25—C26—C27120.3 (5)
C5—P1—C1197.4 (2)C25—C26—H26119.9
C5—P1—C17101.36 (19)C27—C26—H26119.9
C11—P1—C17101.81 (18)C26—C27—C28119.4 (6)
C5—P1—Ru1115.51 (14)C26—C27—H27120.3
C11—P1—Ru1126.49 (14)C28—C27—H27120.3
C17—P1—Ru1110.77 (13)C23—C28—C27120.2 (6)
C29—P2—C1099.27 (18)C23—C28—H28119.9
C29—P2—C23102.7 (2)C27—C28—H28119.9
C10—P2—C23103.5 (2)C30—C29—C34118.4 (4)
C29—P2—Ru1114.02 (13)C30—C29—P2121.8 (3)
C10—P2—Ru1118.34 (14)C34—C29—P2119.7 (3)
C23—P2—Ru1116.53 (14)C29—C30—C31120.4 (4)
C42—P3—C36100.51 (19)C29—C30—H30119.8
C42—P3—C48105.0 (2)C31—C30—H30119.8
C36—P3—C48102.22 (17)C32—C31—C30120.2 (5)
C42—P3—Ru1116.45 (13)C32—C31—H31119.9
C36—P3—Ru1120.66 (13)C30—C31—H31119.9
C48—P3—Ru1110.05 (13)C33—C32—C31120.2 (5)
F5—P4—F188.4 (5)C33—C32—H32119.9
F4'—P4—F3'90.2 (5)C31—C32—H32119.9
F5—P4—F4174.9 (5)C32—C33—C34120.6 (5)
F1—P4—F496.7 (6)C32—C33—H33119.7
F4'—P4—F6'99.1 (14)C34—C33—H33119.7
F3'—P4—F6'95 (3)C33—C34—C29120.3 (5)
F4'—P4—F5'171.6 (13)C33—C34—H34119.9
F3'—P4—F5'89.7 (5)C29—C34—H34119.9
F6'—P4—F5'89.3 (6)O1—C35—Ru1177.0 (4)
F4'—P4—F1'89.7 (5)C37—C36—C41118.4 (4)
F3'—P4—F1'172 (3)C37—C36—P3119.4 (3)
F6'—P4—F1'93.6 (16)C41—C36—P3122.2 (3)
F5'—P4—F1'89.2 (5)C36—C37—C38121.0 (4)
F5—P4—F289.8 (4)C36—C37—H37119.5
F1—P4—F291.0 (5)C38—C37—H37119.5
F4—P4—F289.9 (3)C39—C38—C37119.9 (4)
F4'—P4—F2'88 (2)C39—C38—H38120.1
F3'—P4—F2'82 (3)C37—C38—H38120.1
F6'—P4—F2'172.4 (19)C40—C39—C38120.3 (4)
F5'—P4—F2'83.8 (19)C40—C39—H39119.9
F1'—P4—F2'89.3 (6)C38—C39—H39119.9
F5—P4—F390.2 (4)C39—C40—C41120.1 (4)
F1—P4—F3178.6 (5)C39—C40—H40119.9
F4—P4—F384.7 (4)C41—C40—H40119.9
F2—P4—F389.4 (5)C36—C41—C40120.2 (4)
F5—P4—F693.1 (4)C36—C41—H41119.9
F1—P4—F689.5 (3)C40—C41—H41119.9
F4—P4—F687.1 (4)C43—C42—C47118.1 (4)
F2—P4—F6177.0 (4)C43—C42—P3118.2 (3)
F3—P4—F690.2 (3)C47—C42—P3123.5 (4)
C5—C1—C2107.7 (6)C44—C43—C42121.4 (4)
C5—C1—Co169.8 (3)C44—C43—H43119.3
C2—C1—Co169.2 (3)C42—C43—H43119.3
C5—C1—H1126.1C45—C44—C43119.4 (6)
C2—C1—H1126.1C45—C44—H44120.3
Co1—C1—H1126.5C43—C44—H44120.3
C3—C2—C1108.5 (5)C44—C45—C46121.1 (5)
C3—C2—Co170.2 (4)C44—C45—H45119.5
C1—C2—Co169.5 (3)C46—C45—H45119.5
C3—C2—H2125.8C45—C46—C47121.0 (5)
C1—C2—H2125.8C45—C46—H46119.5
Co1—C2—H2126.1C47—C46—H46119.5
C2—C3—C4108.8 (5)C46—C47—C42119.1 (6)
C2—C3—Co169.7 (3)C46—C47—H47120.5
C4—C3—Co169.9 (3)C42—C47—H47120.5
C2—C3—H3125.6C53—C48—C49118.5 (4)
C4—C3—H3125.6C53—C48—P3120.1 (4)
Co1—C3—H3126.4C49—C48—P3121.3 (3)
C3—C4—C5107.9 (5)C50—C49—C48120.8 (5)
C3—C4—Co169.5 (3)C50—C49—H49119.6
C5—C4—Co169.3 (3)C48—C49—H49119.6
C3—C4—H4126.0C51—C50—C49120.5 (5)
C5—C4—H4126.0C51—C50—H50119.8
Co1—C4—H4126.8C49—C50—H50119.8
C1—C5—C4107.1 (4)C50—C51—C52119.8 (5)
C1—C5—P1126.7 (4)C50—C51—H51120.1
C4—C5—P1126.2 (4)C52—C51—H51120.1
C1—C5—Co169.3 (2)C51—C52—C53120.2 (5)
C4—C5—Co169.4 (3)C51—C52—H52119.9
P1—C5—Co1125.9 (2)C53—C52—H52119.9
C7—C6—C10107.9 (5)C48—C53—C52120.2 (5)
C7—C6—Co169.7 (3)C48—C53—H53119.9
C10—C6—Co168.9 (3)C52—C53—H53119.9
C7—C6—H6126.0Cl3—C54—Cl2112.6 (5)
C10—C6—H6126.0Cl3—C54—H54A109.1
Co1—C6—H6126.9Cl2—C54—H54A109.1
C6—C7—C8109.3 (4)Cl3—C54—H54B109.1
C6—C7—Co170.2 (3)Cl2—C54—H54B109.1
C8—C7—Co170.2 (3)H54A—C54—H54B107.8
C6—C7—H7125.4Cl5—C55—Cl4114.9 (5)
C8—C7—H7125.4Cl5—C55—H55A108.5
Co1—C7—H7125.8Cl4—C55—H55A108.5
C7—C8—C9107.4 (5)Cl5—C55—H55B108.5
C7—C8—Co169.7 (3)Cl4—C55—H55B108.5
C9—C8—Co168.4 (3)H55A—C55—H55B107.5
C7—C8—H8126.3
C35—Ru1—P1—C574.3 (2)C6—C7—C8—C91.4 (6)
P2—Ru1—P1—C517.62 (17)Co1—C7—C8—C958.2 (3)
P3—Ru1—P1—C5168.87 (17)C6—C7—C8—Co159.6 (4)
Cl1—Ru1—P1—C5103.59 (17)C9—Co1—C8—C7119.3 (5)
C35—Ru1—P1—C11163.8 (2)C10—Co1—C8—C781.5 (3)
P2—Ru1—P1—C11104.35 (16)C2—Co1—C8—C760.6 (5)
P3—Ru1—P1—C1169.17 (16)C3—Co1—C8—C796.6 (4)
Cl1—Ru1—P1—C1118.38 (16)C6—Co1—C8—C736.9 (3)
C35—Ru1—P1—C1740.22 (18)C5—Co1—C8—C7177.5 (3)
P2—Ru1—P1—C17132.10 (14)C4—Co1—C8—C7140.0 (3)
P3—Ru1—P1—C1754.38 (14)C10—Co1—C8—C937.8 (3)
Cl1—Ru1—P1—C17141.93 (14)C2—Co1—C8—C9179.9 (4)
C35—Ru1—P2—C29138.15 (18)C7—Co1—C8—C9119.3 (5)
P3—Ru1—P2—C2934.40 (17)C3—Co1—C8—C9144.1 (3)
Cl1—Ru1—P2—C2937.81 (14)C6—Co1—C8—C982.4 (3)
P1—Ru1—P2—C29132.11 (14)C5—Co1—C8—C963.2 (4)
C35—Ru1—P2—C10105.7 (2)C4—Co1—C8—C9100.7 (3)
P3—Ru1—P2—C10150.54 (17)C7—C8—C9—C101.1 (6)
Cl1—Ru1—P2—C1078.33 (17)Co1—C8—C9—C1060.1 (3)
P1—Ru1—P2—C1015.96 (17)C7—C8—C9—Co159.0 (4)
C35—Ru1—P2—C2318.8 (2)C7—Co1—C9—C1081.7 (3)
P3—Ru1—P2—C2384.99 (19)C1—Co1—C9—C1062.9 (4)
Cl1—Ru1—P2—C23157.20 (17)C3—Co1—C9—C10177.1 (3)
P1—Ru1—P2—C23108.50 (17)C6—Co1—C9—C1038.6 (3)
C35—Ru1—P3—C426.2 (2)C8—Co1—C9—C10118.9 (4)
P2—Ru1—P3—C4296.89 (18)C5—Co1—C9—C10100.8 (3)
Cl1—Ru1—P3—C42168.67 (17)C4—Co1—C9—C10145.4 (2)
P1—Ru1—P3—C4296.41 (17)C10—Co1—C9—C8118.9 (4)
C35—Ru1—P3—C36115.9 (2)C7—Co1—C9—C837.1 (4)
P2—Ru1—P3—C36140.99 (15)C1—Co1—C9—C8178.2 (4)
Cl1—Ru1—P3—C3669.21 (15)C3—Co1—C9—C858.2 (5)
P1—Ru1—P3—C3625.72 (15)C6—Co1—C9—C880.3 (4)
C35—Ru1—P3—C48125.53 (19)C5—Co1—C9—C8140.3 (3)
P2—Ru1—P3—C4822.42 (17)C4—Co1—C9—C895.8 (4)
Cl1—Ru1—P3—C4849.36 (15)C8—C9—C10—C60.5 (5)
P1—Ru1—P3—C48144.29 (15)Co1—C9—C10—C659.7 (3)
C9—Co1—C1—C560.9 (4)C8—C9—C10—P2178.7 (3)
C10—Co1—C1—C599.7 (3)Co1—C9—C10—P2121.2 (3)
C2—Co1—C1—C5119.2 (5)C8—C9—C10—Co160.2 (3)
C7—Co1—C1—C5177.4 (3)C7—C6—C10—C90.4 (5)
C3—Co1—C1—C582.2 (3)Co1—C6—C10—C959.3 (3)
C6—Co1—C1—C5144.7 (3)C7—C6—C10—P2179.4 (4)
C4—Co1—C1—C538.4 (3)Co1—C6—C10—P2121.6 (4)
C9—Co1—C1—C2179.9 (4)C7—C6—C10—Co158.9 (3)
C10—Co1—C1—C2141.1 (4)C29—P2—C10—C973.0 (4)
C7—Co1—C1—C258.2 (5)C23—P2—C10—C9178.5 (4)
C3—Co1—C1—C237.0 (4)Ru1—P2—C10—C950.8 (4)
C6—Co1—C1—C296.2 (4)C29—P2—C10—C6105.9 (4)
C5—Co1—C1—C2119.2 (5)C23—P2—C10—C60.4 (5)
C4—Co1—C1—C280.7 (4)Ru1—P2—C10—C6130.3 (4)
C5—C1—C2—C30.3 (6)C29—P2—C10—Co1160.2 (3)
Co1—C1—C2—C359.6 (4)C23—P2—C10—Co194.3 (3)
C5—C1—C2—Co159.3 (3)Ru1—P2—C10—Co136.3 (3)
C10—Co1—C2—C3177.1 (3)C2—Co1—C10—C9179.5 (3)
C7—Co1—C2—C395.6 (4)C7—Co1—C10—C981.5 (3)
C1—Co1—C2—C3119.6 (5)C1—Co1—C10—C9140.9 (3)
C6—Co1—C2—C3138.7 (3)C6—Co1—C10—C9118.4 (4)
C8—Co1—C2—C358.6 (5)C8—Co1—C10—C938.3 (3)
C5—Co1—C2—C381.8 (3)C5—Co1—C10—C996.4 (3)
C4—Co1—C2—C337.3 (3)C4—Co1—C10—C957.4 (4)
C10—Co1—C2—C163.3 (5)C9—Co1—C10—C6118.4 (4)
C7—Co1—C2—C1144.8 (4)C2—Co1—C10—C661.1 (4)
C3—Co1—C2—C1119.6 (5)C7—Co1—C10—C636.9 (3)
C6—Co1—C2—C1101.6 (4)C1—Co1—C10—C6100.7 (3)
C8—Co1—C2—C1178.2 (4)C8—Co1—C10—C680.1 (3)
C5—Co1—C2—C137.8 (3)C5—Co1—C10—C6145.2 (3)
C4—Co1—C2—C182.3 (4)C4—Co1—C10—C6175.9 (3)
C1—C2—C3—C40.1 (6)C9—Co1—C10—P2115.8 (4)
Co1—C2—C3—C459.1 (4)C2—Co1—C10—P264.7 (4)
C1—C2—C3—Co159.2 (4)C7—Co1—C10—P2162.7 (4)
C9—Co1—C3—C2179.5 (3)C1—Co1—C10—P225.1 (4)
C7—Co1—C3—C2100.0 (4)C6—Co1—C10—P2125.8 (5)
C1—Co1—C3—C238.1 (3)C8—Co1—C10—P2154.1 (4)
C6—Co1—C3—C263.8 (5)C5—Co1—C10—P219.4 (4)
C8—Co1—C3—C2142.8 (4)C4—Co1—C10—P258.4 (5)
C5—Co1—C3—C282.1 (3)C5—P1—C11—C16102.5 (4)
C4—Co1—C3—C2120.1 (5)C17—P1—C11—C16154.2 (3)
C9—Co1—C3—C460.4 (5)Ru1—P1—C11—C1627.0 (4)
C2—Co1—C3—C4120.1 (5)C5—P1—C11—C1277.0 (4)
C7—Co1—C3—C4139.9 (4)C17—P1—C11—C1226.2 (4)
C1—Co1—C3—C482.0 (3)Ru1—P1—C11—C12153.5 (3)
C6—Co1—C3—C4176.1 (3)C16—C11—C12—C132.4 (7)
C8—Co1—C3—C497.2 (4)P1—C11—C12—C13178.0 (4)
C5—Co1—C3—C438.0 (3)C11—C12—C13—C141.9 (9)
C2—C3—C4—C50.2 (6)C12—C13—C14—C150.0 (10)
Co1—C3—C4—C558.8 (3)C13—C14—C15—C161.3 (10)
C2—C3—C4—Co159.0 (4)C14—C15—C16—C110.7 (9)
C9—Co1—C4—C3142.7 (4)C12—C11—C16—C151.1 (7)
C10—Co1—C4—C3179.1 (4)P1—C11—C16—C15179.3 (4)
C2—Co1—C4—C336.9 (4)C5—P1—C17—C2239.0 (4)
C7—Co1—C4—C361.5 (5)C11—P1—C17—C22139.1 (4)
C1—Co1—C4—C381.4 (4)Ru1—P1—C17—C2284.1 (4)
C8—Co1—C4—C398.4 (4)C5—P1—C17—C18147.3 (3)
C5—Co1—C4—C3119.5 (5)C11—P1—C17—C1847.2 (3)
C9—Co1—C4—C597.7 (3)Ru1—P1—C17—C1889.6 (3)
C10—Co1—C4—C561.4 (4)C22—C17—C18—C191.3 (6)
C2—Co1—C4—C582.7 (3)P1—C17—C18—C19175.2 (3)
C7—Co1—C4—C5178.9 (3)C17—C18—C19—C201.3 (7)
C1—Co1—C4—C538.1 (3)C18—C19—C20—C210.1 (7)
C3—Co1—C4—C5119.5 (5)C19—C20—C21—C221.5 (7)
C8—Co1—C4—C5142.0 (3)C20—C21—C22—C171.5 (7)
C2—C1—C5—C40.4 (5)C18—C17—C22—C210.1 (6)
Co1—C1—C5—C459.3 (3)P1—C17—C22—C21173.6 (4)
C2—C1—C5—P1179.0 (3)C29—P2—C23—C24165.1 (4)
Co1—C1—C5—P1120.0 (3)C10—P2—C23—C2462.2 (4)
C2—C1—C5—Co158.9 (3)Ru1—P2—C23—C2469.5 (4)
C3—C4—C5—C10.3 (5)C29—P2—C23—C2819.0 (4)
Co1—C4—C5—C159.2 (3)C10—P2—C23—C28121.9 (4)
C3—C4—C5—P1179.0 (4)Ru1—P2—C23—C28106.3 (4)
Co1—C4—C5—P1120.1 (3)C28—C23—C24—C252.0 (8)
C3—C4—C5—Co158.9 (3)P2—C23—C24—C25178.0 (4)
C11—P1—C5—C1172.3 (4)C23—C24—C25—C261.5 (9)
C17—P1—C5—C168.6 (4)C24—C25—C26—C270.2 (9)
Ru1—P1—C5—C151.2 (4)C25—C26—C27—C281.2 (9)
C11—P1—C5—C48.5 (4)C24—C23—C28—C271.0 (8)
C17—P1—C5—C4112.2 (4)P2—C23—C28—C27177.0 (4)
Ru1—P1—C5—C4128.0 (3)C26—C27—C28—C230.6 (9)
C11—P1—C5—Co198.0 (3)C10—P2—C29—C3016.6 (4)
C17—P1—C5—Co1158.3 (3)C23—P2—C29—C3089.6 (4)
Ru1—P1—C5—Co138.5 (3)Ru1—P2—C29—C30143.4 (3)
C9—Co1—C5—C1142.1 (3)C10—P2—C29—C34165.8 (3)
C10—Co1—C5—C198.0 (3)C23—P2—C29—C3488.0 (4)
C2—Co1—C5—C138.1 (4)Ru1—P2—C29—C3438.9 (4)
C3—Co1—C5—C181.2 (4)C34—C29—C30—C312.8 (6)
C6—Co1—C5—C160.1 (4)P2—C29—C30—C31179.5 (3)
C8—Co1—C5—C1178.8 (4)C29—C30—C31—C323.2 (7)
C4—Co1—C5—C1118.6 (4)C30—C31—C32—C331.2 (8)
C9—Co1—C5—C499.3 (3)C31—C32—C33—C341.2 (8)
C10—Co1—C5—C4143.4 (3)C32—C33—C34—C291.6 (7)
C2—Co1—C5—C480.5 (4)C30—C29—C34—C330.4 (7)
C1—Co1—C5—C4118.6 (4)P2—C29—C34—C33178.2 (4)
C3—Co1—C5—C437.4 (4)C42—P3—C36—C37164.1 (3)
C6—Co1—C5—C4178.6 (3)C48—P3—C36—C3787.9 (3)
C8—Co1—C5—C460.2 (4)Ru1—P3—C36—C3734.5 (4)
C9—Co1—C5—P121.1 (4)C42—P3—C36—C4117.1 (4)
C10—Co1—C5—P123.0 (4)C48—P3—C36—C4190.9 (4)
C2—Co1—C5—P1159.1 (4)Ru1—P3—C36—C41146.7 (3)
C1—Co1—C5—P1121.0 (5)C41—C36—C37—C380.9 (6)
C3—Co1—C5—P1157.8 (4)P3—C36—C37—C38179.8 (3)
C6—Co1—C5—P161.0 (5)C36—C37—C38—C390.3 (7)
C8—Co1—C5—P160.2 (4)C37—C38—C39—C401.4 (7)
C4—Co1—C5—P1120.4 (5)C38—C39—C40—C411.2 (7)
C9—Co1—C6—C781.6 (4)C37—C36—C41—C401.1 (6)
C10—Co1—C6—C7119.7 (5)P3—C36—C41—C40179.9 (3)
C2—Co1—C6—C798.0 (4)C39—C40—C41—C360.1 (7)
C1—Co1—C6—C7142.8 (3)C36—P3—C42—C4374.3 (3)
C3—Co1—C6—C759.7 (5)C48—P3—C42—C43179.9 (3)
C8—Co1—C6—C737.0 (3)Ru1—P3—C42—C4357.9 (4)
C5—Co1—C6—C7178.9 (4)C36—P3—C42—C4799.3 (4)
C9—Co1—C6—C1038.1 (3)C48—P3—C42—C476.5 (5)
C2—Co1—C6—C10142.3 (3)Ru1—P3—C42—C47128.5 (4)
C7—Co1—C6—C10119.7 (5)C47—C42—C43—C442.3 (7)
C1—Co1—C6—C1097.5 (3)P3—C42—C43—C44171.7 (4)
C3—Co1—C6—C10179.3 (4)C42—C43—C44—C451.7 (7)
C8—Co1—C6—C1082.7 (3)C43—C44—C45—C460.4 (9)
C5—Co1—C6—C1059.3 (4)C44—C45—C46—C470.1 (11)
C10—C6—C7—C81.1 (6)C45—C46—C47—C420.6 (10)
Co1—C6—C7—C859.6 (4)C43—C42—C47—C461.7 (8)
C10—C6—C7—Co158.5 (3)P3—C42—C47—C46171.9 (5)
C9—Co1—C7—C681.9 (3)C42—P3—C48—C5363.1 (4)
C10—Co1—C7—C638.0 (3)C36—P3—C48—C53167.6 (4)
C2—Co1—C7—C698.2 (4)Ru1—P3—C48—C5363.0 (4)
C1—Co1—C7—C661.2 (5)C42—P3—C48—C49118.4 (4)
C3—Co1—C7—C6141.2 (4)C36—P3—C48—C4913.9 (4)
C8—Co1—C7—C6120.1 (5)Ru1—P3—C48—C49115.5 (4)
C4—Co1—C7—C6178.6 (3)C53—C48—C49—C500.1 (7)
C9—Co1—C7—C838.2 (3)P3—C48—C49—C50178.4 (4)
C10—Co1—C7—C882.1 (3)C48—C49—C50—C511.1 (8)
C2—Co1—C7—C8141.6 (4)C49—C50—C51—C521.1 (9)
C1—Co1—C7—C8178.6 (4)C50—C51—C52—C530.2 (10)
C3—Co1—C7—C898.7 (4)C49—C48—C53—C520.8 (8)
C6—Co1—C7—C8120.2 (5)P3—C48—C53—C52179.3 (5)
C4—Co1—C7—C861.2 (5)C51—C52—C53—C480.7 (10)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C3—H3···F2i0.932.353.230 (9)157
C7—H7···F3i0.932.513.383 (8)156
C16—H16···Cl10.932.573.414 (5)151
C37—H37···Cl10.932.773.584 (4)147
C46—H46···F2ii0.932.543.219 (10)130
C55—H55A···F3iii0.972.423.140 (12)131
Symmetry codes: (i) x+1, y, z1/2; (ii) x+1/2, y+1/2, z; (iii) x+1, y, z+1/2.

Experimental details

Crystal data
Chemical formula[CoRu(C17H14P)2ClH(C18H15P)(CO)]PF6·2CH2Cl2
Mr1300.06
Crystal system, space groupOrthorhombic, Pna21
Temperature (K)292
a, b, c (Å)22.5676 (19), 22.0330 (18), 11.0614 (9)
V3)5500.1 (8)
Z4
Radiation typeMo Kα
µ (mm1)1.00
Crystal size (mm)0.30 × 0.30 × 0.20
Data collection
DiffractometerBruker APEX CCD
Absorption correctionMulti-scan
(SADABS; Sheldrick, 1996)
Tmin, Tmax0.755, 0.826
No. of measured, independent and
observed [I > 2σ(I)] reflections
63147, 13058, 11469
Rint0.065
(sin θ/λ)max1)0.661
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.048, 0.113, 1.01
No. of reflections13058
No. of parameters687
No. of restraints21
H-atom treatmentH atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å3)0.77, 0.37
Absolute structureFlack (1983), 6103 Friedel pairs
Absolute structure parameter0.002 (16)

Computer programs: SMART (Bruker, 2007), SAINT (Bruker, 2007), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), XP in SHELXTL (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).

Selected bond lengths (Å) top
Ru1—P12.4827 (10)Ru1—Cl12.4736 (11)
Ru1—P22.3340 (10)Ru1—H1A1.80 (3)
Ru1—P32.3768 (10)Ru1—C351.877 (6)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C3—H3···F2i0.932.353.230 (9)157
C7—H7···F3i0.932.513.383 (8)156
C16—H16···Cl10.932.573.414 (5)151
C37—H37···Cl10.932.773.584 (4)147
C46—H46···F2ii0.932.543.219 (10)130
C55—H55A···F3iii0.972.423.140 (12)131
Symmetry codes: (i) x+1, y, z1/2; (ii) x+1/2, y+1/2, z; (iii) x+1, y, z+1/2.
 

Acknowledgements

The author acknowledges financial support from the National Natural Science Foundation of China (grant No. 21002086).

References

First citationBruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.  Google Scholar
First citationFlack, H. D. (1983). Acta Cryst. A39, 876–881.  CrossRef CAS Web of Science IUCr Journals Google Scholar
First citationSantos, A., Montoya, J., Noheda, P., Romero, A. & Echavarren, A. M. (1994). Organometallics, 13, 3605–3615.  CSD CrossRef CAS Web of Science Google Scholar
First citationSheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.  Google Scholar
First citationSheldrick, G. M. (2008). Acta Cryst. A64, 112–122.  Web of Science CrossRef CAS IUCr Journals Google Scholar

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