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(di­phenyl­phosphino)cobalto­cenium-κ2P,P′]di­chloridoplatinum(II) hexa­fluorido­phosphate

aCollege of Chemical and Environmental Engineering, Wuhan Polytechnic University, Wuhan 430023, People's Republic of China
*Correspondence e-mail: jintaoguan@yahoo.cn

(Received 22 June 2009; accepted 15 July 2009; online 22 July 2009)

The title bimetallic compound, [PtCl2{Co(C17H14P)2}]PF6, was obtained by reaction of 1,1′-bis­(diphenyl­phosphino)cobalto­cenium hexa­fluorido­phosphate with bis­(acetonitrile)di­chloridoplatinum. The PtII ion is four-coordinated in a slightly distorted square-planar environment by two P atoms of the 1,1′-bis­(diphenyl­phosphino)cobaltocenium moiety and two Cl atoms. In the crystal structure, mol­ecules are linked by weak C—H⋯F and C—H⋯Cl hydrogen bonds.

Related literature

For background to cobaltocene derivatives applied as catal­ysts, see: Brasse et al. (2000[Brasse, C. C., Englert, U., Salzer, A., Waffenschmidt, H. & Wasserscheid, P. (2000). Organometallics, 19, 3818-3823.]); Yu et al. (2007[Yu, G. A., Ren, Y., Guan, J. T., Lin, Y. & Liu, S. H. (2007). J. Organomet. Chem. 692, 3914-3921.]). For the structure of dichloro [1,1′-bis­(diphenyl­phosphino)ferrocene], see: Corain et al. (1989[Corain, B., Longato, B. & Favero, G. (1989). Inorg. Chim. Acta, 157, 259-266.]). For 1,1′-bis­(diphenyl­phosphino)cobalto­cenium tetra­fluoridoborate, see: Hou et al. (2007[Hou, J.-G., Zhang, P., Ye, C. & Yu, T.-G. (2007). Acta Cryst. E63, m2730.]).

[Scheme 1]

Experimental

Crystal data
  • [CoPt(C17H14P)2Cl2]PF6

  • Mr = 968.39

  • Triclinic, [P \overline 1]

  • a = 8.9730 (1) Å

  • b = 10.8770 (1) Å

  • c = 19.7670 (1) Å

  • α = 94.9780 (1)°

  • β = 102.4230 (1)°

  • γ = 114.2320 (1)°

  • V = 1684.54 (3) Å3

  • Z = 2

  • Mo Kα radiation

  • μ = 5.00 mm−1

  • T = 293 K

  • 0.20 × 0.10 × 0.10 mm

Data collection
  • Bruker SMART CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 2004[Sheldrick, G. M. (2004). SADABS. University of Göttingen, Germany.]) Tmin = 0.435, Tmax = 0.635

  • 17964 measured reflections

  • 7506 independent reflections

  • 6245 reflections with I > 2σ(I)

  • Rint = 0.080

Refinement
  • R[F2 > 2σ(F2)] = 0.040

  • wR(F2) = 0.092

  • S = 1.00

  • 7506 reflections

  • 424 parameters

  • H-atom parameters constrained

  • Δρmax = 1.98 e Å−3

  • Δρmin = −1.19 e Å−3

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A D—H H⋯A DA D—H⋯A
C3—H3⋯F2i 0.98 2.32 3.190 (11) 148
C4—H4⋯Cl1ii 0.98 2.80 3.448 (7) 124
C7—H7⋯F5 0.98 2.55 3.513 (14) 168
C12—H12⋯F6iii 0.93 2.54 3.267 (11) 135
C14—H14⋯Cl2iii 0.93 2.79 3.497 (8) 134
C16—H16⋯Cl1 0.93 2.80 3.454 (7) 128
C22—H22⋯F5 0.93 2.51 3.311 (11) 145
Symmetry codes: (i) -x+1, -y+1, -z+2; (ii) x-1, y, z; (iii) x-1, y-1, z.

Data collection: SMART (Bruker, 2001[Bruker (2001). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2001[Bruker (2001). 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: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXTL.

Supporting information


Comment top

Cobaltocene derivatives have been applied as catalysts in cross-coupling reactions (Brasse et al., 2000). As part of our investigations of new catalysts, we have focused our attention on cobaltocenium compounds. Some complexes, such as 1,1'-bis(diphenylphosphino)cobaltocenium tetrafluoridoborate, have been obtained and reported(Hou et al., 2007). Herein, we report the structure of the title compound, (I) (Fig. 1), which is very similar to the complex dichloro [1,1'-bis(diphenylphosphino)ferrocene] (Corain et al., 1989). The PtÎI^ metal ion is in an essentially square-planar environment defined by the two Cl atoms and the two P atoms. The angle between the plane P—Pt—P and the plane Cl—Pt—Cl is 4.0 (3)°. The bond angle of the two P atoms at the Pt atom is 100.64 (5)°, with the two Cl atoms it is 86.08 (5)°. The two substituted Cp rings are staggered and are essentially parallel with an interplanar angle of 3.62 (2)°. The crystal structure contains non-bonded C—H···F and C—H···Cl interactions (Fig.2).

Related literature top

For background to cobaltocene derivatives applied as catalysts, see: Brasse et al. (2000); Yu et al. (2007). For the structure of dichloro [1,1'-bis(diphenylphosphino)ferrocene], see: Corain et al. (1989). For 1,1'-bis(diphenylphosphino)cobaltocenium tetrafluoridoborate, see: Hou et al. (2007).

Experimental top

A mixture of 1,1'-bis(dipehnylphosphio)cobaltocenium hexafluoridophosphate (70.2 mg, 0.1 mmol) and bis(acetonitrile)dichloroplatinum (34.8 mg, 0.1 mmol) in CH2Cl2(10 ml) was stirred for 4 h. The precipitate formed was separated by filtration and washed with Et2O and water, and dried under vacuum to give an yellow powder (85.2 mg). Crystals appropriate for data collection were obtained by slow evaporation from a CH3NO2 solution at 293 K.

Refinement top

All H atoms were placed in geometrically idealized positions and constrained to ride on their parent atoms with C—H = 0.93 Å; with Uiso(H) = 1.2Ueq(C).

Computing details top

Data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT (Bruker, 2001); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXS97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures top
[Figure 1] Fig. 1. The molecular structure of (I), with atom labels and 50% probability displacement ellipsoids for non-H atoms. H atoms are omitted for clarity.
[Figure 2] Fig. 2. Hydrogen bonding interactions in (I).H atoms not involved in hydrogen bonding have been omitted.
[1,1'-Bis(diphenylphosphino)cobaltocenium- κ2P,P']dichloridoplatinum(II) hexafluoridophosphate top
Crystal data top
[CoPt(C17H14P)2Cl2]PF6Z = 2
Mr = 968.39F(000) = 940
Triclinic, P1Dx = 1.909 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 8.9730 (1) ÅCell parameters from 7129 reflections
b = 10.8770 (1) Åθ = 2.5–27.4°
c = 19.7670 (1) ŵ = 5.00 mm1
α = 94.9780 (1)°T = 293 K
β = 102.4230 (1)°Block, yellow
γ = 114.2320 (1)°0.20 × 0.10 × 0.10 mm
V = 1684.54 (3) Å3
Data collection top
Bruker SMART CCD area-detector
diffractometer
7506 independent reflections
Radiation source: fine-focus sealed tube6245 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.080
ϕ and ω scansθmax = 27.5°, θmin = 1.1°
Absorption correction: multi-scan
(SADABS; Sheldrick, 2004)
h = 1111
Tmin = 0.435, Tmax = 0.635k = 1313
17964 measured reflectionsl = 2525
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.040Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.092H-atom parameters constrained
S = 1.00 w = 1/[σ2(Fo2) + (0.0412P)2 + 0.1224P]
where P = (Fo2 + 2Fc2)/3
7506 reflections(Δ/σ)max = 0.027
424 parametersΔρmax = 1.98 e Å3
0 restraintsΔρmin = 1.19 e Å3
Crystal data top
[CoPt(C17H14P)2Cl2]PF6γ = 114.2320 (1)°
Mr = 968.39V = 1684.54 (3) Å3
Triclinic, P1Z = 2
a = 8.9730 (1) ÅMo Kα radiation
b = 10.8770 (1) ŵ = 5.00 mm1
c = 19.7670 (1) ÅT = 293 K
α = 94.9780 (1)°0.20 × 0.10 × 0.10 mm
β = 102.4230 (1)°
Data collection top
Bruker SMART CCD area-detector
diffractometer
7506 independent reflections
Absorption correction: multi-scan
(SADABS; Sheldrick, 2004)
6245 reflections with I > 2σ(I)
Tmin = 0.435, Tmax = 0.635Rint = 0.080
17964 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0400 restraints
wR(F2) = 0.092H-atom parameters constrained
S = 1.00Δρmax = 1.98 e Å3
7506 reflectionsΔρmin = 1.19 e Å3
424 parameters
Special details top

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

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Pt10.39843 (2)0.173677 (19)0.691223 (10)0.02720 (8)
C10.1265 (6)0.0476 (5)0.8029 (3)0.0310 (11)
C20.1575 (7)0.0917 (6)0.8766 (3)0.0393 (13)
H20.26620.12170.91240.047*
C30.0069 (7)0.0887 (6)0.8896 (3)0.0402 (14)
H30.00690.11620.93550.048*
C40.1191 (7)0.0395 (6)0.8243 (3)0.0385 (13)
H40.23580.02840.81710.046*
C50.0475 (6)0.0153 (5)0.7704 (3)0.0335 (12)
H50.10660.01820.71990.040*
C60.1783 (7)0.3358 (5)0.7545 (3)0.0313 (11)
C70.2929 (8)0.3902 (6)0.8247 (3)0.0453 (15)
H70.41130.40420.83850.054*
C80.2032 (11)0.4171 (7)0.8706 (4)0.061 (2)
H80.24860.45060.92180.074*
C90.0375 (11)0.3835 (7)0.8310 (4)0.060 (2)
H90.05230.38990.84960.072*
C100.0197 (8)0.3319 (6)0.7586 (3)0.0462 (15)
H100.08300.30020.71910.055*
C110.1492 (7)0.1487 (5)0.7122 (3)0.0350 (12)
C120.0321 (8)0.2418 (6)0.7413 (3)0.0507 (16)
H120.02690.21480.78640.061*
C130.0751 (8)0.3725 (7)0.7043 (4)0.0605 (19)
H130.15260.43410.72410.073*
C140.0672 (8)0.4123 (6)0.6369 (4)0.0574 (18)
H140.14200.50010.61090.069*
C150.0499 (8)0.3231 (7)0.6084 (4)0.0519 (16)
H150.05620.35150.56380.062*
C160.1584 (7)0.1917 (6)0.6453 (3)0.0409 (14)
H160.23760.13160.62570.049*
C170.4359 (7)0.0302 (6)0.8356 (3)0.0373 (13)
C180.4344 (8)0.0865 (7)0.8568 (3)0.0513 (16)
H180.35460.17250.83050.062*
C190.5543 (11)0.0755 (10)0.9187 (4)0.073 (2)
H190.55380.15450.93350.088*
C200.6699 (10)0.0491 (11)0.9567 (4)0.074 (3)
H200.74820.05550.99780.089*
C210.6736 (8)0.1670 (10)0.9353 (4)0.068 (2)
H210.75380.25240.96220.081*
C220.5600 (7)0.1594 (7)0.8746 (3)0.0495 (16)
H220.56500.23920.85940.059*
C230.0296 (6)0.1815 (5)0.6113 (3)0.0295 (11)
C240.0224 (7)0.0419 (6)0.5888 (3)0.0367 (13)
H240.04620.00080.60670.044*
C250.1782 (7)0.0353 (6)0.5390 (3)0.0433 (14)
H250.21420.12900.52450.052*
C260.2803 (7)0.0236 (7)0.5108 (3)0.0494 (17)
H260.38330.02920.47690.059*
C270.2286 (8)0.1602 (7)0.5332 (3)0.0497 (16)
H270.29780.20060.51460.060*
C280.0737 (7)0.2407 (6)0.5835 (3)0.0419 (14)
H280.03990.33400.59820.050*
C290.3237 (7)0.4478 (6)0.6492 (3)0.0360 (12)
C300.3094 (8)0.4536 (6)0.5787 (3)0.0458 (15)
H300.24580.37360.54450.055*
C310.3895 (9)0.5784 (8)0.5587 (4)0.0591 (19)
H310.38070.58180.51120.071*
C320.4826 (9)0.6979 (7)0.6099 (4)0.063 (2)
H320.53560.78190.59670.075*
C330.4963 (9)0.6918 (7)0.6794 (4)0.0629 (19)
H330.55920.77200.71360.075*
C340.4184 (8)0.5689 (6)0.6996 (3)0.0513 (16)
H340.42890.56640.74720.062*
Cl10.57300 (18)0.06097 (16)0.69406 (8)0.0458 (4)
Cl20.5467 (2)0.30193 (16)0.61893 (9)0.0502 (4)
Co10.08481 (9)0.21409 (8)0.82014 (4)0.03369 (17)
P10.27781 (16)0.02746 (14)0.75901 (7)0.0295 (3)
P20.23250 (16)0.28380 (13)0.67663 (7)0.0285 (3)
F10.7096 (13)0.6711 (9)0.8492 (4)0.209 (4)
F40.9060 (8)0.6276 (8)0.9842 (3)0.129 (2)
F30.6545 (11)0.6101 (15)0.9389 (5)0.255 (6)
F50.7334 (12)0.4950 (8)0.8797 (7)0.265 (6)
F20.8821 (13)0.7923 (8)0.9449 (5)0.230 (5)
F60.9614 (11)0.6650 (12)0.8885 (4)0.211 (5)
P30.8058 (3)0.6409 (2)0.91318 (10)0.0653 (5)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Pt10.02182 (10)0.02686 (12)0.03064 (12)0.00777 (8)0.00884 (8)0.00572 (8)
C10.030 (3)0.028 (3)0.037 (3)0.012 (2)0.013 (2)0.012 (2)
C20.036 (3)0.054 (4)0.029 (3)0.019 (3)0.010 (2)0.012 (3)
C30.045 (3)0.048 (4)0.036 (3)0.022 (3)0.021 (3)0.018 (3)
C40.032 (3)0.041 (3)0.046 (3)0.014 (2)0.017 (3)0.014 (3)
C50.033 (3)0.032 (3)0.032 (3)0.010 (2)0.010 (2)0.005 (2)
C60.037 (3)0.024 (3)0.035 (3)0.012 (2)0.014 (2)0.008 (2)
C70.046 (3)0.031 (3)0.038 (3)0.001 (3)0.008 (3)0.002 (3)
C80.094 (6)0.037 (4)0.043 (4)0.016 (4)0.028 (4)0.000 (3)
C90.089 (6)0.057 (5)0.067 (5)0.047 (4)0.049 (4)0.020 (4)
C100.052 (4)0.044 (4)0.059 (4)0.029 (3)0.026 (3)0.024 (3)
C110.035 (3)0.030 (3)0.043 (3)0.016 (2)0.015 (2)0.007 (2)
C120.060 (4)0.032 (3)0.059 (4)0.014 (3)0.030 (3)0.008 (3)
C130.056 (4)0.042 (4)0.081 (5)0.012 (3)0.036 (4)0.010 (4)
C140.045 (4)0.029 (3)0.085 (5)0.008 (3)0.015 (4)0.003 (3)
C150.049 (4)0.046 (4)0.055 (4)0.017 (3)0.017 (3)0.003 (3)
C160.034 (3)0.038 (3)0.048 (3)0.012 (3)0.014 (3)0.006 (3)
C170.033 (3)0.055 (4)0.036 (3)0.026 (3)0.013 (2)0.018 (3)
C180.055 (4)0.060 (4)0.057 (4)0.036 (3)0.023 (3)0.027 (3)
C190.074 (5)0.115 (8)0.068 (5)0.064 (5)0.032 (4)0.059 (5)
C200.052 (4)0.142 (9)0.049 (4)0.057 (5)0.018 (4)0.042 (5)
C210.038 (4)0.111 (7)0.043 (4)0.029 (4)0.003 (3)0.005 (4)
C220.041 (3)0.061 (4)0.047 (4)0.026 (3)0.009 (3)0.005 (3)
C230.029 (3)0.032 (3)0.028 (3)0.014 (2)0.007 (2)0.007 (2)
C240.034 (3)0.038 (3)0.039 (3)0.016 (2)0.011 (2)0.008 (2)
C250.039 (3)0.035 (3)0.042 (3)0.006 (3)0.009 (3)0.006 (3)
C260.028 (3)0.067 (5)0.040 (3)0.011 (3)0.006 (3)0.003 (3)
C270.037 (3)0.067 (5)0.052 (4)0.033 (3)0.006 (3)0.012 (3)
C280.038 (3)0.040 (3)0.049 (4)0.023 (3)0.007 (3)0.002 (3)
C290.034 (3)0.032 (3)0.041 (3)0.013 (2)0.012 (2)0.012 (2)
C300.051 (4)0.042 (4)0.048 (4)0.020 (3)0.019 (3)0.015 (3)
C310.066 (4)0.065 (5)0.060 (4)0.032 (4)0.028 (4)0.034 (4)
C320.058 (4)0.041 (4)0.092 (6)0.017 (3)0.029 (4)0.036 (4)
C330.065 (5)0.034 (4)0.070 (5)0.006 (3)0.012 (4)0.010 (3)
C340.051 (4)0.037 (4)0.050 (4)0.007 (3)0.008 (3)0.013 (3)
Cl10.0384 (7)0.0527 (9)0.0572 (9)0.0263 (7)0.0193 (7)0.0171 (7)
Cl20.0529 (9)0.0433 (9)0.0666 (10)0.0201 (7)0.0379 (8)0.0221 (7)
Co10.0351 (4)0.0350 (4)0.0317 (4)0.0140 (3)0.0140 (3)0.0054 (3)
P10.0275 (6)0.0304 (7)0.0321 (7)0.0127 (6)0.0101 (6)0.0091 (6)
P20.0282 (6)0.0246 (7)0.0307 (7)0.0088 (5)0.0100 (6)0.0055 (5)
F10.269 (10)0.196 (9)0.115 (5)0.133 (8)0.088 (6)0.008 (5)
F40.119 (5)0.172 (6)0.091 (4)0.062 (4)0.013 (3)0.053 (4)
F30.122 (6)0.457 (19)0.210 (9)0.118 (9)0.102 (7)0.085 (10)
F50.172 (8)0.088 (6)0.445 (17)0.039 (5)0.002 (10)0.082 (8)
F20.255 (11)0.105 (6)0.217 (9)0.073 (6)0.119 (8)0.031 (6)
F60.165 (7)0.350 (15)0.138 (6)0.101 (8)0.091 (6)0.074 (8)
P30.0571 (11)0.0653 (14)0.0542 (11)0.0153 (10)0.0056 (9)0.0014 (10)
Geometric parameters (Å, º) top
Pt1—P22.2525 (14)C15—H150.9300
Pt1—P12.2533 (13)C16—H160.9300
Pt1—Cl22.3235 (13)C17—C181.366 (8)
Pt1—Cl12.3473 (15)C17—C221.403 (8)
C1—C21.424 (7)C17—P11.828 (5)
C1—C51.432 (7)C18—C191.403 (9)
C1—P11.833 (5)C18—H180.9300
C1—Co12.010 (5)C19—C201.346 (12)
C2—C31.416 (8)C19—H190.9300
C2—Co12.025 (6)C20—C211.374 (11)
C2—H20.9800C20—H200.9300
C3—C41.409 (8)C21—C221.367 (9)
C3—Co12.046 (5)C21—H210.9300
C3—H30.9800C22—H220.9300
C4—C51.415 (7)C23—C281.381 (8)
C4—Co12.049 (5)C23—C241.390 (8)
C4—H40.9800C23—P21.816 (5)
C5—Co12.018 (5)C24—C251.388 (8)
C5—H50.9800C24—H240.9300
C6—C101.426 (8)C25—C261.373 (9)
C6—C71.441 (8)C25—H250.9300
C6—P21.823 (5)C26—C271.361 (9)
C6—Co11.999 (5)C26—H260.9300
C7—C81.420 (9)C27—C281.394 (8)
C7—Co12.032 (5)C27—H270.9300
C7—H70.9800C28—H280.9300
C8—C91.400 (10)C29—C301.381 (8)
C8—Co12.058 (6)C29—C341.391 (8)
C8—H80.9800C29—P21.818 (5)
C9—C101.441 (9)C30—C311.390 (9)
C9—Co12.057 (7)C30—H300.9300
C9—H90.9800C31—C321.389 (10)
C10—Co12.011 (6)C31—H310.9300
C10—H100.9800C32—C331.364 (9)
C11—C161.394 (7)C32—H320.9300
C11—C121.396 (7)C33—C341.372 (8)
C11—P11.810 (6)C33—H330.9300
C12—C131.369 (9)C34—H340.9300
C12—H120.9300F1—P31.512 (7)
C13—C141.392 (9)F4—P31.550 (6)
C13—H130.9300F3—P31.472 (7)
C14—C151.369 (9)F5—P31.472 (8)
C14—H140.9300F2—P31.511 (8)
C15—C161.377 (8)F6—P31.507 (7)
P2—Pt1—P1100.63 (5)C25—C24—C23119.1 (5)
P2—Pt1—Cl288.81 (5)C25—C24—H24120.5
P1—Pt1—Cl2170.32 (5)C23—C24—H24120.5
P2—Pt1—Cl1173.88 (5)C26—C25—C24121.5 (6)
P1—Pt1—Cl184.37 (5)C26—C25—H25119.3
Cl2—Pt1—Cl186.08 (5)C24—C25—H25119.3
C2—C1—C5106.8 (4)C27—C26—C25119.1 (6)
C2—C1—P1126.3 (4)C27—C26—H26120.5
C5—C1—P1126.8 (4)C25—C26—H26120.5
C2—C1—Co169.9 (3)C26—C27—C28121.0 (6)
C5—C1—Co169.5 (3)C26—C27—H27119.5
P1—C1—Co1128.0 (3)C28—C27—H27119.5
C3—C2—C1108.9 (5)C23—C28—C27119.8 (6)
C3—C2—Co170.4 (3)C23—C28—H28120.1
C1—C2—Co168.8 (3)C27—C28—H28120.1
C3—C2—H2125.5C30—C29—C34118.9 (5)
C1—C2—H2125.5C30—C29—P2120.7 (4)
Co1—C2—H2125.5C34—C29—P2120.2 (4)
C4—C3—C2107.5 (5)C29—C30—C31120.3 (6)
C4—C3—Co170.0 (3)C29—C30—H30119.8
C2—C3—Co168.9 (3)C31—C30—H30119.8
C4—C3—H3126.3C32—C31—C30119.7 (6)
C2—C3—H3126.3C32—C31—H31120.2
Co1—C3—H3126.3C30—C31—H31120.2
C3—C4—C5109.0 (5)C33—C32—C31119.8 (6)
C3—C4—Co169.7 (3)C33—C32—H32120.1
C5—C4—Co168.5 (3)C31—C32—H32120.1
C3—C4—H4125.5C32—C33—C34120.8 (7)
C5—C4—H4125.5C32—C33—H33119.6
Co1—C4—H4125.5C34—C33—H33119.6
C4—C5—C1107.8 (5)C33—C34—C29120.4 (6)
C4—C5—Co170.8 (3)C33—C34—H34119.8
C1—C5—Co168.9 (3)C29—C34—H34119.8
C4—C5—H5126.1C6—Co1—C1107.7 (2)
C1—C5—H5126.1C6—Co1—C1041.7 (2)
Co1—C5—H5126.1C1—Co1—C10134.9 (2)
C10—C6—C7107.2 (5)C6—Co1—C5111.5 (2)
C10—C6—P2127.8 (4)C1—Co1—C541.7 (2)
C7—C6—P2125.0 (4)C10—Co1—C5109.1 (2)
C10—C6—Co169.6 (3)C6—Co1—C2134.9 (2)
C7—C6—Co170.3 (3)C1—Co1—C241.3 (2)
P2—C6—Co1125.5 (3)C10—Co1—C2175.8 (2)
C8—C7—C6108.0 (6)C5—Co1—C269.1 (2)
C8—C7—Co170.7 (4)C6—Co1—C741.9 (2)
C6—C7—Co167.8 (3)C1—Co1—C7111.7 (2)
C8—C7—H7126.0C10—Co1—C769.6 (3)
C6—C7—H7126.0C5—Co1—C7142.6 (2)
Co1—C7—H7126.0C2—Co1—C7109.3 (3)
C9—C8—C7108.8 (6)C6—Co1—C3175.5 (2)
C9—C8—Co170.1 (4)C1—Co1—C369.5 (2)
C7—C8—Co168.7 (3)C10—Co1—C3142.8 (2)
C9—C8—H8125.6C5—Co1—C368.9 (2)
C7—C8—H8125.6C2—Co1—C340.7 (2)
Co1—C8—H8125.6C7—Co1—C3135.3 (2)
C8—C9—C10108.2 (6)C6—Co1—C4142.7 (2)
C8—C9—Co170.1 (4)C1—Co1—C469.0 (2)
C10—C9—Co167.5 (3)C10—Co1—C4113.4 (2)
C8—C9—H9125.9C5—Co1—C440.7 (2)
C10—C9—H9125.9C2—Co1—C468.0 (2)
Co1—C9—H9125.9C7—Co1—C4175.4 (2)
C6—C10—C9107.8 (6)C3—Co1—C440.2 (2)
C6—C10—Co168.7 (3)C6—Co1—C969.7 (2)
C9—C10—Co171.0 (4)C1—Co1—C9176.4 (2)
C6—C10—H10126.1C10—Co1—C941.5 (3)
C9—C10—H10126.1C5—Co1—C9136.4 (3)
Co1—C10—H10126.1C2—Co1—C9142.3 (3)
C16—C11—C12119.0 (5)C7—Co1—C968.2 (3)
C16—C11—P1120.9 (4)C3—Co1—C9113.3 (2)
C12—C11—P1120.0 (4)C4—Co1—C9111.4 (3)
C13—C12—C11120.8 (6)C6—Co1—C869.6 (2)
C13—C12—H12119.6C1—Co1—C8142.3 (3)
C11—C12—H12119.6C10—Co1—C868.9 (3)
C12—C13—C14119.4 (6)C5—Co1—C8175.9 (3)
C12—C13—H13120.3C2—Co1—C8113.2 (3)
C14—C13—H13120.3C7—Co1—C840.6 (2)
C15—C14—C13120.4 (6)C3—Co1—C8110.4 (2)
C15—C14—H14119.8C4—Co1—C8136.2 (2)
C13—C14—H14119.8C9—Co1—C839.8 (3)
C14—C15—C16120.5 (6)C11—P1—C17108.6 (3)
C14—C15—H15119.8C11—P1—C198.9 (2)
C16—C15—H15119.8C17—P1—C199.8 (2)
C15—C16—C11119.9 (5)C11—P1—Pt1114.09 (18)
C15—C16—H16120.0C17—P1—Pt1111.89 (17)
C11—C16—H16120.0C1—P1—Pt1121.89 (17)
C18—C17—C22119.8 (6)C23—P2—C29105.9 (2)
C18—C17—P1123.0 (5)C23—P2—C6104.9 (2)
C22—C17—P1117.2 (5)C29—P2—C6100.4 (2)
C17—C18—C19119.5 (7)C23—P2—Pt1112.19 (18)
C17—C18—H18120.2C29—P2—Pt1115.15 (18)
C19—C18—H18120.2C6—P2—Pt1116.92 (18)
C20—C19—C18120.1 (8)F5—P3—F389.2 (7)
C20—C19—H19119.9F5—P3—F688.5 (6)
C18—C19—H19119.9F3—P3—F6176.5 (7)
C19—C20—C21120.8 (7)F5—P3—F2177.7 (7)
C19—C20—H20119.6F3—P3—F292.5 (7)
C21—C20—H20119.6F6—P3—F289.9 (6)
C22—C21—C20120.4 (8)F5—P3—F191.4 (6)
C22—C21—H21119.8F3—P3—F186.0 (6)
C20—C21—H21119.8F6—P3—F196.7 (6)
C21—C22—C17119.4 (7)F2—P3—F187.1 (5)
C21—C22—H22120.3F5—P3—F495.7 (6)
C17—C22—H22120.3F3—P3—F491.4 (5)
C28—C23—C24119.5 (5)F6—P3—F486.2 (4)
C28—C23—P2120.8 (4)F2—P3—F485.9 (4)
C24—C23—P2119.7 (4)F1—P3—F4172.4 (5)
C5—C1—C2—C30.8 (6)C3—C2—Co1—C1120.5 (5)
P1—C1—C2—C3177.8 (4)C3—C2—Co1—C10147 (3)
Co1—C1—C2—C359.1 (4)C1—C2—Co1—C1027 (4)
C5—C1—C2—Co159.9 (3)C3—C2—Co1—C581.5 (4)
P1—C1—C2—Co1123.0 (4)C1—C2—Co1—C539.0 (3)
C1—C2—C3—C41.5 (7)C3—C2—Co1—C7138.4 (4)
Co1—C2—C3—C459.6 (4)C1—C2—Co1—C7101.2 (3)
C1—C2—C3—Co158.1 (4)C1—C2—Co1—C3120.5 (5)
C2—C3—C4—C51.6 (7)C3—C2—Co1—C437.6 (3)
Co1—C3—C4—C557.3 (4)C1—C2—Co1—C482.9 (3)
C2—C3—C4—Co158.9 (4)C3—C2—Co1—C959.3 (6)
C3—C4—C5—C11.1 (6)C1—C2—Co1—C9179.7 (4)
Co1—C4—C5—C159.2 (3)C3—C2—Co1—C894.8 (4)
C3—C4—C5—Co158.1 (4)C1—C2—Co1—C8144.7 (3)
C2—C1—C5—C40.2 (6)C8—C7—Co1—C6119.8 (6)
P1—C1—C5—C4176.8 (4)C8—C7—Co1—C1147.6 (4)
Co1—C1—C5—C460.4 (4)C6—C7—Co1—C192.7 (4)
C2—C1—C5—Co160.2 (4)C8—C7—Co1—C1080.9 (5)
P1—C1—C5—Co1122.8 (4)C6—C7—Co1—C1038.8 (3)
C10—C6—C7—C80.7 (6)C8—C7—Co1—C5176.0 (4)
P2—C6—C7—C8179.6 (4)C6—C7—Co1—C556.2 (5)
Co1—C6—C7—C859.5 (4)C8—C7—Co1—C2103.4 (4)
C10—C6—C7—Co160.1 (4)C6—C7—Co1—C2136.8 (3)
P2—C6—C7—Co1120.1 (4)C8—C7—Co1—C365.3 (6)
C6—C7—C8—C91.0 (7)C6—C7—Co1—C3174.9 (3)
Co1—C7—C8—C958.7 (5)C8—C7—Co1—C450 (3)
C6—C7—C8—Co157.7 (4)C6—C7—Co1—C4170 (3)
C7—C8—C9—C101.0 (8)C8—C7—Co1—C936.4 (4)
Co1—C8—C9—C1056.9 (5)C6—C7—Co1—C983.4 (4)
C7—C8—C9—Co157.9 (5)C6—C7—Co1—C8119.8 (6)
C7—C6—C10—C90.1 (6)C4—C3—Co1—C6132 (3)
P2—C6—C10—C9179.8 (4)C2—C3—Co1—C614 (3)
Co1—C6—C10—C960.5 (4)C4—C3—Co1—C181.5 (4)
C7—C6—C10—Co160.6 (4)C2—C3—Co1—C137.4 (3)
P2—C6—C10—Co1119.7 (4)C4—C3—Co1—C1057.4 (6)
C8—C9—C10—C60.6 (7)C2—C3—Co1—C10176.2 (4)
Co1—C9—C10—C659.0 (4)C4—C3—Co1—C536.7 (3)
C8—C9—C10—Co158.5 (5)C2—C3—Co1—C582.1 (4)
C16—C11—C12—C131.5 (10)C4—C3—Co1—C2118.9 (5)
P1—C11—C12—C13175.0 (6)C4—C3—Co1—C7178.1 (4)
C11—C12—C13—C140.2 (11)C2—C3—Co1—C763.0 (5)
C12—C13—C14—C151.8 (11)C2—C3—Co1—C4118.9 (5)
C13—C14—C15—C161.7 (11)C4—C3—Co1—C996.0 (4)
C14—C15—C16—C110.0 (10)C2—C3—Co1—C9145.1 (4)
C12—C11—C16—C151.6 (9)C4—C3—Co1—C8138.9 (4)
P1—C11—C16—C15174.9 (5)C2—C3—Co1—C8102.2 (4)
C22—C17—C18—C191.9 (9)C3—C4—Co1—C6174.5 (4)
P1—C17—C18—C19176.2 (5)C5—C4—Co1—C653.3 (5)
C17—C18—C19—C200.1 (10)C3—C4—Co1—C182.6 (4)
C18—C19—C20—C210.7 (11)C5—C4—Co1—C138.6 (3)
C19—C20—C21—C220.4 (11)C3—C4—Co1—C10146.3 (4)
C20—C21—C22—C172.1 (10)C5—C4—Co1—C1092.5 (4)
C18—C17—C22—C212.9 (9)C3—C4—Co1—C5121.2 (5)
P1—C17—C22—C21175.3 (5)C3—C4—Co1—C238.0 (3)
C28—C23—C24—C250.5 (8)C5—C4—Co1—C283.2 (4)
P2—C23—C24—C25179.7 (4)C3—C4—Co1—C717 (3)
C23—C24—C25—C261.2 (8)C5—C4—Co1—C7138 (3)
C24—C25—C26—C271.3 (9)C5—C4—Co1—C3121.2 (5)
C25—C26—C27—C280.7 (9)C3—C4—Co1—C9101.3 (4)
C24—C23—C28—C270.0 (8)C5—C4—Co1—C9137.5 (4)
P2—C23—C28—C27179.8 (4)C3—C4—Co1—C863.0 (5)
C26—C27—C28—C230.1 (9)C5—C4—Co1—C8175.9 (4)
C34—C29—C30—C310.5 (9)C8—C9—Co1—C682.1 (4)
P2—C29—C30—C31175.5 (5)C10—C9—Co1—C638.4 (4)
C29—C30—C31—C320.8 (10)C8—C9—Co1—C1126 (4)
C30—C31—C32—C330.7 (11)C10—C9—Co1—C15 (4)
C31—C32—C33—C340.3 (12)C8—C9—Co1—C10120.5 (6)
C32—C33—C34—C290.0 (11)C8—C9—Co1—C5177.6 (3)
C30—C29—C34—C330.1 (10)C10—C9—Co1—C561.9 (5)
P2—C29—C34—C33175.9 (5)C8—C9—Co1—C256.6 (6)
C10—C6—Co1—C1139.1 (4)C10—C9—Co1—C2177.2 (4)
C7—C6—Co1—C1103.0 (4)C8—C9—Co1—C737.1 (4)
P2—C6—Co1—C116.5 (4)C10—C9—Co1—C783.4 (4)
C7—C6—Co1—C10117.9 (5)C8—C9—Co1—C394.3 (4)
P2—C6—Co1—C10122.6 (5)C10—C9—Co1—C3145.2 (4)
C10—C6—Co1—C595.0 (4)C8—C9—Co1—C4137.9 (4)
C7—C6—Co1—C5147.2 (4)C10—C9—Co1—C4101.6 (4)
P2—C6—Co1—C527.6 (4)C10—C9—Co1—C8120.5 (6)
C10—C6—Co1—C2176.4 (4)C9—C8—Co1—C682.4 (4)
C7—C6—Co1—C265.7 (5)C7—C8—Co1—C638.2 (4)
P2—C6—Co1—C253.8 (5)C9—C8—Co1—C1175.2 (3)
C10—C6—Co1—C7117.9 (5)C7—C8—Co1—C154.6 (6)
P2—C6—Co1—C7119.5 (5)C9—C8—Co1—C1037.7 (4)
C10—C6—Co1—C3171 (3)C7—C8—Co1—C1082.9 (4)
C7—C6—Co1—C353 (3)C9—C8—Co1—C524 (3)
P2—C6—Co1—C366 (3)C7—C8—Co1—C5144 (3)
C10—C6—Co1—C460.7 (5)C9—C8—Co1—C2146.3 (4)
C7—C6—Co1—C4178.6 (4)C7—C8—Co1—C293.1 (4)
P2—C6—Co1—C461.8 (5)C9—C8—Co1—C7120.6 (6)
C10—C6—Co1—C938.2 (4)C9—C8—Co1—C3102.4 (4)
C7—C6—Co1—C979.6 (4)C7—C8—Co1—C3137.0 (4)
P2—C6—Co1—C9160.8 (5)C9—C8—Co1—C464.5 (5)
C10—C6—Co1—C880.8 (4)C7—C8—Co1—C4174.9 (4)
C7—C6—Co1—C837.1 (4)C7—C8—Co1—C9120.6 (6)
P2—C6—Co1—C8156.6 (5)C16—C11—P1—C17111.8 (5)
C2—C1—Co1—C6139.5 (3)C12—C11—P1—C1771.7 (5)
C5—C1—Co1—C6102.8 (3)C16—C11—P1—C1144.6 (5)
P1—C1—Co1—C618.6 (4)C12—C11—P1—C131.8 (6)
C2—C1—Co1—C10177.4 (3)C16—C11—P1—Pt113.7 (5)
C5—C1—Co1—C1064.9 (4)C12—C11—P1—Pt1162.8 (5)
P1—C1—Co1—C1056.4 (5)C18—C17—P1—C118.5 (5)
C2—C1—Co1—C5117.8 (4)C22—C17—P1—C11173.3 (4)
P1—C1—Co1—C5121.3 (5)C18—C17—P1—C194.4 (5)
C5—C1—Co1—C2117.8 (4)C22—C17—P1—C183.8 (4)
P1—C1—Co1—C2120.9 (5)C18—C17—P1—Pt1135.3 (4)
C2—C1—Co1—C795.0 (3)C22—C17—P1—Pt146.5 (5)
C5—C1—Co1—C7147.2 (3)C2—C1—P1—C11126.1 (5)
P1—C1—Co1—C725.9 (4)C5—C1—P1—C1150.4 (5)
C2—C1—Co1—C336.9 (3)Co1—C1—P1—C11142.0 (4)
C5—C1—Co1—C380.9 (3)C2—C1—P1—C1715.4 (5)
P1—C1—Co1—C3157.8 (4)C5—C1—P1—C17161.1 (5)
C2—C1—Co1—C480.0 (3)Co1—C1—P1—C17107.2 (4)
C5—C1—Co1—C437.7 (3)C2—C1—P1—Pt1108.2 (5)
P1—C1—Co1—C4159.1 (4)C5—C1—P1—Pt175.3 (5)
C2—C1—Co1—C9178 (4)Co1—C1—P1—Pt116.3 (4)
C5—C1—Co1—C960 (4)P2—Pt1—P1—C11104.7 (2)
P1—C1—Co1—C962 (4)Cl2—Pt1—P1—C1162.6 (4)
C2—C1—Co1—C860.2 (5)Cl1—Pt1—P1—C1171.8 (2)
C5—C1—Co1—C8178.0 (4)P2—Pt1—P1—C17131.6 (2)
P1—C1—Co1—C860.7 (5)Cl2—Pt1—P1—C1761.1 (4)
C9—C10—Co1—C6118.8 (6)Cl1—Pt1—P1—C1751.9 (2)
C6—C10—Co1—C161.7 (5)P2—Pt1—P1—C113.8 (2)
C9—C10—Co1—C1179.5 (4)Cl2—Pt1—P1—C1178.9 (3)
C6—C10—Co1—C5101.2 (3)Cl1—Pt1—P1—C1169.7 (2)
C9—C10—Co1—C5140.0 (4)C28—C23—P2—C2939.1 (5)
C6—C10—Co1—C237 (4)C24—C23—P2—C29140.6 (4)
C9—C10—Co1—C2156 (3)C28—C23—P2—C666.5 (5)
C6—C10—Co1—C739.0 (3)C24—C23—P2—C6113.7 (4)
C9—C10—Co1—C779.8 (4)C28—C23—P2—Pt1165.6 (4)
C6—C10—Co1—C3178.9 (4)C24—C23—P2—Pt114.2 (4)
C9—C10—Co1—C360.0 (6)C30—C29—P2—C2339.7 (5)
C6—C10—Co1—C4144.8 (3)C34—C29—P2—C23144.4 (5)
C9—C10—Co1—C496.4 (4)C30—C29—P2—C6148.6 (5)
C6—C10—Co1—C9118.8 (6)C34—C29—P2—C635.5 (5)
C6—C10—Co1—C882.6 (4)C30—C29—P2—Pt184.9 (5)
C9—C10—Co1—C836.2 (4)C34—C29—P2—Pt191.0 (5)
C4—C5—Co1—C6148.5 (3)C10—C6—P2—C2315.8 (5)
C1—C5—Co1—C692.7 (3)C7—C6—P2—C23164.4 (4)
C4—C5—Co1—C1118.8 (4)Co1—C6—P2—C2374.8 (4)
C4—C5—Co1—C10104.0 (4)C10—C6—P2—C2993.9 (5)
C1—C5—Co1—C10137.3 (3)C7—C6—P2—C2985.8 (5)
C4—C5—Co1—C280.1 (3)Co1—C6—P2—C29175.4 (3)
C1—C5—Co1—C238.7 (3)C10—C6—P2—Pt1140.8 (4)
C4—C5—Co1—C7174.9 (4)C7—C6—P2—Pt139.4 (5)
C1—C5—Co1—C756.1 (5)Co1—C6—P2—Pt150.2 (4)
C4—C5—Co1—C336.3 (3)P1—Pt1—P2—C2377.79 (17)
C1—C5—Co1—C382.5 (3)Cl2—Pt1—P2—C23100.09 (17)
C1—C5—Co1—C4118.8 (4)Cl1—Pt1—P2—C2366.8 (5)
C4—C5—Co1—C965.8 (4)P1—Pt1—P2—C29160.9 (2)
C1—C5—Co1—C9175.4 (3)Cl2—Pt1—P2—C2921.2 (2)
C4—C5—Co1—C844 (3)Cl1—Pt1—P2—C2954.4 (5)
C1—C5—Co1—C8163 (3)P1—Pt1—P2—C643.48 (19)
C3—C2—Co1—C6178.5 (3)Cl2—Pt1—P2—C6138.64 (19)
C1—C2—Co1—C661.0 (4)Cl1—Pt1—P2—C6171.9 (5)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C3—H3···F2i0.982.323.190 (11)148
C4—H4···Cl1ii0.982.803.448 (7)124
C7—H7···F50.982.553.513 (14)168
C12—H12···F6iii0.932.543.267 (11)135
C14—H14···Cl2iii0.932.793.497 (8)134
C16—H16···Cl10.932.803.454 (7)128
C22—H22···F50.932.513.311 (11)145
Symmetry codes: (i) x+1, y+1, z+2; (ii) x1, y, z; (iii) x1, y1, z.

Experimental details

Crystal data
Chemical formula[CoPt(C17H14P)2Cl2]PF6
Mr968.39
Crystal system, space groupTriclinic, P1
Temperature (K)293
a, b, c (Å)8.9730 (1), 10.8770 (1), 19.7670 (1)
α, β, γ (°)94.9780 (1), 102.4230 (1), 114.2320 (1)
V3)1684.54 (3)
Z2
Radiation typeMo Kα
µ (mm1)5.00
Crystal size (mm)0.20 × 0.10 × 0.10
Data collection
DiffractometerBruker SMART CCD area-detector
diffractometer
Absorption correctionMulti-scan
(SADABS; Sheldrick, 2004)
Tmin, Tmax0.435, 0.635
No. of measured, independent and
observed [I > 2σ(I)] reflections
17964, 7506, 6245
Rint0.080
(sin θ/λ)max1)0.650
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.040, 0.092, 1.00
No. of reflections7506
No. of parameters424
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)1.98, 1.19

Computer programs: SMART (Bruker, 2001), SAINT (Bruker, 2001), SHELXS97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).

Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C3—H3···F2i0.982.323.190 (11)148
C4—H4···Cl1ii0.982.803.448 (7)124
C7—H7···F50.982.553.513 (14)168
C12—H12···F6iii0.932.543.267 (11)135
C14—H14···Cl2iii0.932.793.497 (8)134
C16—H16···Cl10.932.803.454 (7)128
C22—H22···F50.932.513.311 (11)145
Symmetry codes: (i) x+1, y+1, z+2; (ii) x1, y, z; (iii) x1, y1, z.
 

Acknowledgements

The authors acknowledge financial support from the National Natural Science Foundation of China (No. 20572029), the New Century Excellent Talents in Universities (NCET-04–0743) and the Cultivation Fund of the Key Scientific and Technical Innovation Project, Ministry of Education of China (No. 705039).

References

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First citationSheldrick, G. M. (2008). Acta Cryst. A64, 112–122.  Web of Science CrossRef CAS IUCr Journals Google Scholar
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