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

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ISSN: 2056-9890

Chlorido[1-(di­phenyl­phosphan­yl)cobaltocenium]gold(I) hexa­fluoridophosphate

aCollege of Chemistry and Chemical Engineering, Yunnan Normal University, Kunming 650092, People's Republic of China
*Correspondence e-mail: chxhwu@yahoo.cn

(Received 17 April 2011; accepted 17 May 2011; online 25 May 2011)

In the cobaltocenium group of the title compound, [AuCo(C5H5)(C17H14P)Cl]PF6, the substituted cyclo­penta­dienyl (Cps) and the unsubstituted cyclo­penta­dienyl (Cp) ring planes are almost parallel, making a dihedral angle of 3.1 (3)°. The C atoms in Cp and Cps are in an eclipsed conformation. The AuI atom is coordinated by a P atom from the diphenyl­phosphanyl group and a Cl atom in an almost linear arrangement [P—Au—Cl = 178.15–(7)°]. Two hexa­fluorido­phosphate anions are each located on a twofold rotation axis. In the crystal, the complex cations and hexa­fluorido­phosphate anions are linked via inter­molecular C—H⋯F hydrogen bonds.

Related literature

For a related structure, see: Chen et al. (2009[Chen, Y., Wu, X.-H., Yu, G.-A., Jin, S., Meng, X.-G. & Liu, S.-H. (2009). Transition Met. Chem. 34, 103-108.]).

[Scheme 1]

Experimental

Crystal data
  • [AuCo(C5H5)(C17H14P)Cl]PF6

  • Mr = 750.66

  • Monoclinic, C 2/c

  • a = 11.5565 (14) Å

  • b = 14.8537 (14) Å

  • c = 27.983 (3) Å

  • β = 97.577 (2)°

  • V = 4761.6 (9) Å3

  • Z = 8

  • Mo Kα radiation

  • μ = 7.15 mm−1

  • T = 292 K

  • 0.20 × 0.20 × 0.20 mm

Data collection
  • Bruker APEX CCD diffractometer

  • 24437 measured reflections

  • 4680 independent reflections

  • 4190 reflections with I > 2σ(I)

  • Rint = 0.183

Refinement
  • R[F2 > 2σ(F2)] = 0.048

  • wR(F2) = 0.125

  • S = 1.06

  • 4680 reflections

  • 301 parameters

  • H-atom parameters constrained

  • Δρmax = 3.36 e Å−3

  • Δρmin = −1.59 e Å−3

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A D—H H⋯A DA D—H⋯A
C5—H5⋯F5i 0.98 2.56 3.249 (11) 128
C8—H8⋯F4i 0.98 2.41 3.090 (10) 126
C10—H10⋯F8i 0.98 2.53 3.185 (12) 125
Symmetry code: (i) [x+{\script{1\over 2}}, y+{\script{1\over 2}}, z].

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: 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 molecular structure of the title compound is shown in Fig. 1. In the cobaltocenium moiety (Chen et al., 2009), two cyclopentadienyl rings are nearly parallel to each other with a dihedral angle at 3.1 (3)°. The C atoms of the substituted cyclopentadienyl (Cps) ring and the unsubstituted cyclopentadienyl (Cp) ring are in an eclipsed conformation. The Co1 atom is slightly nearer to the Cps plane, with the Co1—Cgs and Co1—Cg distances of 1.6275 (6) and 1.6323 (6) Å (Cgs and Cg are the centroids of the Cps and Cp rings). The Cgs—Co1—Cg angle is 177.06 (2)°. The P1, Au1 and Cl1 atoms are almost in a line, with an angle of 178.15 (7)°. The C1—P1—Au1 angle is 113.37 (18)°. The complex cations and hexafluorophosphate anions are linked by C—H···F hydrogen bonds (Table 1), as shown in Fig. 2.

Related literature top

For a related structure, see: Chen et al. (2009).

Experimental top

To a solution of 1-(diphenylphosphanyl)cobaltocenium hexafluorophosphate (5.18 g, 0.01 mol) in dichloromethane (20 ml) was added gold chloride dimethylsulfane (0.62 g, 0.01 mol). The reaction mixture was stirred at room temperature for 30 min. After removing the solvent under reduced pressure, the residue was collected and dried in a vacuum desiccator (yield: 84%, 84 mg). Crystals suitable for X-ray data collection were obtained by slow evaporation from a dichloromethane and hexane solution at room temperature.

Refinement top

H atoms were positioned geometrically and refined as riding atoms, with C—H = 0.93 and 0.98 Å and with Uiso(H) = 1.2Ueq(C). The highest residual electron density was found at 0.83 Å from Au1 atom and the deepest hole at 1.33 Å from Au1 atom.

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: 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, showing 30% probability displacement ellipsoids. [Symmetry codes: (i) 1-x, y, 1/2-z; (ii) -x, y, 1/2-z.]
[Figure 2] Fig. 2. Crystal packing of the title compound, showing intermolecular C—H···F hydrogen bonds (dashed lines).
Chlorido[1-(diphenylphosphanyl)cobaltocenium]gold(I) hexafluoridophosphate top
Crystal data top
[AuCo(C5H5)(C17H14P)Cl]PF6F(000) = 2864
Mr = 750.66Dx = 2.094 Mg m3
Monoclinic, C2/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2ycCell parameters from 5908 reflections
a = 11.5565 (14) Åθ = 2.2–27.5°
b = 14.8537 (14) ŵ = 7.15 mm1
c = 27.983 (3) ÅT = 292 K
β = 97.577 (2)°Block, colorless
V = 4761.6 (9) Å30.20 × 0.20 × 0.20 mm
Z = 8
Data collection top
Bruker APEX CCD
diffractometer
4190 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.183
Graphite monochromatorθmax = 26.0°, θmin = 2.3°
ϕ and ω scansh = 1414
24437 measured reflectionsk = 1818
4680 independent reflectionsl = 3434
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)] = 0.048Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.125H-atom parameters constrained
S = 1.06 w = 1/[σ2(Fo2) + (0.0706P)2]
where P = (Fo2 + 2Fc2)/3
4680 reflections(Δ/σ)max = 0.001
301 parametersΔρmax = 3.36 e Å3
0 restraintsΔρmin = 1.59 e Å3
Crystal data top
[AuCo(C5H5)(C17H14P)Cl]PF6V = 4761.6 (9) Å3
Mr = 750.66Z = 8
Monoclinic, C2/cMo Kα radiation
a = 11.5565 (14) ŵ = 7.15 mm1
b = 14.8537 (14) ÅT = 292 K
c = 27.983 (3) Å0.20 × 0.20 × 0.20 mm
β = 97.577 (2)°
Data collection top
Bruker APEX CCD
diffractometer
4190 reflections with I > 2σ(I)
24437 measured reflectionsRint = 0.183
4680 independent reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0480 restraints
wR(F2) = 0.125H-atom parameters constrained
S = 1.06Δρmax = 3.36 e Å3
4680 reflectionsΔρmin = 1.59 e Å3
301 parameters
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Au10.611737 (18)0.111894 (15)0.447818 (8)0.04121 (13)
Cl10.6800 (2)0.02937 (13)0.46391 (9)0.0810 (6)
Co10.73961 (6)0.31564 (5)0.35937 (2)0.0373 (2)
C10.6515 (4)0.3281 (4)0.41722 (19)0.0353 (11)
C20.7751 (5)0.3201 (4)0.43184 (19)0.0447 (13)
H20.81340.27250.45240.054*
C30.8318 (6)0.3916 (5)0.4118 (3)0.0575 (19)
H30.91610.40260.41570.069*
C40.7441 (6)0.4448 (5)0.3837 (3)0.0575 (17)
H40.75810.49840.36490.069*
C50.6348 (6)0.4054 (4)0.3868 (2)0.0450 (13)
H50.55970.42730.37070.054*
C60.6927 (8)0.1995 (6)0.3237 (3)0.070 (2)
H60.64330.15190.33450.084*
C70.8171 (8)0.2057 (7)0.3344 (3)0.078 (2)
H70.86900.16310.35350.094*
C80.8503 (9)0.2842 (7)0.3112 (3)0.088 (3)
H80.93010.30660.31160.105*
C90.7472 (9)0.3263 (6)0.2884 (2)0.077 (2)
H90.74340.38230.26970.092*
C100.6548 (7)0.2734 (7)0.2960 (2)0.070 (2)
H100.57300.28680.28420.084*
C110.5027 (4)0.3014 (4)0.48858 (17)0.0323 (10)
C120.4193 (6)0.2539 (5)0.5115 (2)0.0525 (15)
H120.38580.20120.49810.063*
C130.3884 (6)0.2873 (7)0.5542 (2)0.061 (2)
H130.33280.25690.56930.074*
C140.4375 (7)0.3633 (6)0.5745 (2)0.0592 (17)
H140.41590.38410.60340.071*
C150.5198 (7)0.4102 (5)0.5526 (3)0.0603 (17)
H150.55370.46220.56670.072*
C160.5513 (6)0.3789 (4)0.5092 (2)0.0436 (14)
H160.60560.41060.49410.052*
C170.4166 (4)0.2607 (4)0.38938 (18)0.0347 (11)
C180.3477 (5)0.3373 (5)0.3875 (2)0.0467 (14)
H180.36650.38430.40900.056*
C190.2490 (6)0.3428 (6)0.3524 (2)0.0552 (17)
H190.20330.39450.35000.066*
C200.2205 (5)0.2720 (6)0.3221 (2)0.0576 (19)
H200.15340.27520.29980.069*
C210.2892 (6)0.1958 (6)0.3239 (2)0.0600 (18)
H210.26980.14900.30220.072*
C220.3869 (5)0.1890 (5)0.3580 (2)0.0473 (14)
H220.43250.13720.35990.057*
F10.4729 (11)0.0040 (5)0.3031 (3)0.183 (5)
F20.50000.1112 (4)0.25000.093 (3)
F30.6304 (5)0.0048 (5)0.2686 (4)0.168 (4)
F40.50000.1023 (4)0.25000.094 (3)
F50.0244 (12)0.0474 (7)0.3049 (3)0.210 (5)
F60.1298 (5)0.0463 (7)0.2511 (5)0.226 (6)
F70.00000.1482 (7)0.25000.122 (3)
F80.00000.0631 (6)0.25000.201 (7)
P10.54402 (11)0.25078 (9)0.43452 (5)0.0318 (3)
P20.50000.00498 (18)0.25000.0579 (6)
P30.00000.0412 (2)0.25000.0599 (7)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Au10.04551 (17)0.02754 (19)0.05013 (19)0.00192 (8)0.00461 (11)0.00108 (8)
Cl10.0891 (13)0.0334 (10)0.1220 (17)0.0148 (9)0.0195 (12)0.0106 (10)
Co10.0351 (4)0.0411 (5)0.0363 (4)0.0013 (3)0.0067 (3)0.0021 (3)
C10.036 (3)0.030 (3)0.039 (3)0.006 (2)0.004 (2)0.000 (2)
C20.042 (3)0.056 (4)0.034 (3)0.006 (3)0.005 (2)0.002 (2)
C30.045 (3)0.067 (5)0.060 (4)0.020 (3)0.004 (3)0.006 (3)
C40.072 (4)0.036 (4)0.068 (4)0.010 (3)0.024 (3)0.001 (3)
C50.046 (3)0.032 (3)0.058 (3)0.003 (2)0.011 (3)0.001 (3)
C60.105 (6)0.054 (5)0.054 (4)0.008 (4)0.026 (4)0.020 (3)
C70.103 (7)0.073 (6)0.062 (4)0.034 (5)0.021 (4)0.011 (4)
C80.086 (6)0.107 (8)0.080 (5)0.001 (5)0.048 (5)0.026 (5)
C90.113 (7)0.085 (6)0.036 (3)0.014 (5)0.023 (4)0.012 (4)
C100.077 (5)0.091 (6)0.039 (3)0.003 (4)0.008 (3)0.012 (4)
C110.031 (2)0.033 (3)0.034 (2)0.000 (2)0.0061 (19)0.004 (2)
C120.053 (3)0.059 (4)0.046 (3)0.018 (3)0.007 (3)0.001 (3)
C130.061 (4)0.078 (6)0.050 (4)0.012 (3)0.026 (3)0.004 (3)
C140.068 (4)0.066 (5)0.047 (3)0.014 (4)0.023 (3)0.001 (3)
C150.079 (5)0.044 (4)0.058 (4)0.004 (4)0.009 (3)0.014 (3)
C160.056 (4)0.035 (3)0.042 (3)0.001 (2)0.014 (3)0.001 (2)
C170.031 (2)0.037 (3)0.035 (2)0.003 (2)0.0009 (19)0.005 (2)
C180.042 (3)0.045 (4)0.051 (3)0.001 (3)0.002 (2)0.006 (3)
C190.042 (3)0.065 (5)0.057 (4)0.012 (3)0.002 (3)0.012 (3)
C200.035 (3)0.098 (6)0.038 (3)0.010 (3)0.003 (2)0.010 (3)
C210.051 (4)0.078 (5)0.049 (3)0.021 (4)0.002 (3)0.009 (3)
C220.049 (3)0.050 (4)0.042 (3)0.009 (3)0.003 (2)0.006 (3)
F10.356 (15)0.085 (5)0.129 (6)0.025 (6)0.108 (8)0.006 (4)
F20.094 (5)0.045 (5)0.127 (6)0.0000.028 (5)0.000
F30.070 (4)0.088 (5)0.328 (13)0.000 (3)0.046 (6)0.005 (6)
F40.102 (5)0.039 (4)0.152 (7)0.0000.059 (5)0.000
F50.352 (15)0.172 (10)0.089 (5)0.019 (10)0.031 (7)0.032 (5)
F60.061 (4)0.173 (9)0.439 (18)0.007 (4)0.017 (7)0.151 (10)
F70.139 (8)0.070 (6)0.150 (8)0.0000.009 (7)0.000
F80.164 (9)0.044 (5)0.354 (19)0.0000.116 (11)0.000
P10.0328 (6)0.0276 (7)0.0340 (6)0.0005 (5)0.0009 (5)0.0011 (5)
P20.0468 (12)0.0389 (14)0.0854 (18)0.0000.0007 (12)0.000
P30.0431 (12)0.0567 (17)0.0755 (16)0.0000.0085 (11)0.000
Geometric parameters (Å, º) top
Au1—P12.2203 (14)C11—P11.809 (5)
Au1—Cl12.2657 (18)C12—C131.384 (9)
Co1—C92.005 (6)C12—H120.9300
Co1—C102.010 (7)C13—C141.354 (12)
Co1—C22.017 (5)C13—H130.9300
Co1—C52.020 (6)C14—C151.386 (11)
Co1—C72.030 (8)C14—H140.9300
Co1—C62.030 (8)C15—C161.392 (9)
Co1—C82.031 (7)C15—H150.9300
Co1—C12.031 (5)C16—H160.9300
Co1—C42.033 (7)C17—C181.386 (8)
Co1—C32.037 (7)C17—C221.394 (8)
C1—C51.426 (8)C17—P11.815 (5)
C1—C21.437 (8)C18—C191.404 (9)
C1—P11.805 (5)C18—H180.9300
C2—C31.404 (9)C19—C201.364 (11)
C2—H20.9800C19—H190.9300
C3—C41.434 (11)C20—C211.381 (11)
C3—H30.9800C20—H200.9300
C4—C51.404 (9)C21—C221.382 (9)
C4—H40.9800C21—H210.9300
C5—H50.9800C22—H220.9300
C6—C101.383 (12)F1—P21.557 (7)
C6—C71.432 (13)F2—P21.577 (7)
C6—H60.9800F3—P21.528 (6)
C7—C81.413 (13)F4—P21.594 (7)
C7—H70.9800F5—P31.527 (8)
C8—C91.420 (13)F6—P31.498 (6)
C8—H80.9800F7—P31.589 (11)
C9—C101.364 (12)F8—P31.549 (9)
C9—H90.9800P2—F3i1.528 (6)
C10—H100.9800P2—F1i1.557 (7)
C11—C161.374 (8)P3—F6ii1.498 (6)
C11—C121.414 (7)P3—F5ii1.526 (8)
P1—Au1—Cl1178.15 (7)C7—C8—Co169.6 (4)
C9—Co1—C1039.7 (4)C9—C8—Co168.4 (4)
C9—Co1—C2164.5 (3)C7—C8—H8126.0
C10—Co1—C2155.3 (3)C9—C8—H8126.0
C9—Co1—C5115.6 (3)Co1—C8—H8126.0
C10—Co1—C5107.1 (3)C10—C9—C8107.7 (8)
C2—Co1—C569.4 (3)C10—C9—Co170.3 (4)
C9—Co1—C769.2 (4)C8—C9—Co170.4 (4)
C10—Co1—C768.4 (4)C10—C9—H9126.1
C2—Co1—C7109.4 (3)C8—C9—H9126.1
C5—Co1—C7167.3 (4)Co1—C9—H9126.1
C9—Co1—C667.9 (4)C9—C10—C6110.4 (8)
C10—Co1—C640.0 (4)C9—C10—Co169.9 (4)
C2—Co1—C6121.9 (3)C6—C10—Co170.8 (4)
C5—Co1—C6127.8 (3)C9—C10—H10124.8
C7—Co1—C641.3 (4)C6—C10—H10124.8
C9—Co1—C841.2 (4)Co1—C10—H10124.8
C10—Co1—C867.6 (4)C16—C11—C12119.5 (5)
C2—Co1—C8127.8 (4)C16—C11—P1124.1 (4)
C5—Co1—C8150.0 (4)C12—C11—P1116.3 (4)
C7—Co1—C840.7 (4)C13—C12—C11118.8 (6)
C6—Co1—C868.2 (4)C13—C12—H12120.6
C9—Co1—C1150.9 (3)C11—C12—H12120.6
C10—Co1—C1119.6 (3)C14—C13—C12121.2 (6)
C2—Co1—C141.6 (2)C14—C13—H13119.4
C5—Co1—C141.2 (2)C12—C13—H13119.4
C7—Co1—C1129.6 (3)C13—C14—C15120.6 (6)
C6—Co1—C1109.9 (3)C13—C14—H14119.7
C8—Co1—C1167.3 (4)C15—C14—H14119.7
C9—Co1—C4104.8 (3)C14—C15—C16119.3 (7)
C10—Co1—C4125.3 (4)C14—C15—H15120.3
C2—Co1—C468.8 (3)C16—C15—H15120.3
C5—Co1—C440.5 (3)C11—C16—C15120.5 (6)
C7—Co1—C4151.8 (4)C11—C16—H16119.7
C6—Co1—C4163.6 (4)C15—C16—H16119.7
C8—Co1—C4116.7 (4)C18—C17—C22120.7 (5)
C1—Co1—C468.9 (2)C18—C17—P1120.2 (4)
C9—Co1—C3125.6 (4)C22—C17—P1119.1 (4)
C10—Co1—C3162.9 (4)C17—C18—C19119.0 (6)
C2—Co1—C340.5 (3)C17—C18—H18120.5
C5—Co1—C369.1 (3)C19—C18—H18120.5
C7—Co1—C3118.7 (4)C20—C19—C18119.8 (7)
C6—Co1—C3154.8 (4)C20—C19—H19120.1
C8—Co1—C3106.9 (4)C18—C19—H19120.1
C1—Co1—C369.2 (2)C19—C20—C21121.3 (6)
C4—Co1—C341.3 (3)C19—C20—H20119.4
C5—C1—C2106.7 (5)C21—C20—H20119.4
C5—C1—P1128.9 (4)C20—C21—C22119.9 (7)
C2—C1—P1124.3 (4)C20—C21—H21120.1
C5—C1—Co168.9 (3)C22—C21—H21120.1
C2—C1—Co168.7 (3)C21—C22—C17119.4 (6)
P1—C1—Co1126.2 (3)C21—C22—H22120.3
C3—C2—C1108.8 (6)C17—C22—H22120.3
C3—C2—Co170.5 (4)C1—P1—C11103.1 (2)
C1—C2—Co169.8 (3)C1—P1—C17106.6 (2)
C3—C2—H2125.6C11—P1—C17105.6 (2)
C1—C2—H2125.6C1—P1—Au1113.37 (18)
Co1—C2—H2125.6C11—P1—Au1111.84 (17)
C2—C3—C4107.6 (6)C17—P1—Au1115.32 (19)
C2—C3—Co169.0 (3)F3i—P2—F3179.8 (6)
C4—C3—Co169.2 (4)F3i—P2—F190.7 (7)
C2—C3—H3126.2F3—P2—F189.3 (7)
C4—C3—H3126.2F3i—P2—F1i89.3 (6)
Co1—C3—H3126.2F3—P2—F1i90.7 (7)
C5—C4—C3108.3 (6)F1—P2—F1i178.9 (6)
C5—C4—Co169.2 (4)F3i—P2—F290.1 (3)
C3—C4—Co169.5 (4)F3—P2—F290.1 (3)
C5—C4—H4125.9F1—P2—F290.5 (3)
C3—C4—H4125.9F1i—P2—F290.5 (3)
Co1—C4—H4125.9F3i—P2—F489.9 (3)
C4—C5—C1108.7 (6)F3—P2—F489.9 (3)
C4—C5—Co170.3 (4)F1—P2—F489.5 (3)
C1—C5—Co169.8 (3)F1i—P2—F489.5 (3)
C4—C5—H5125.7F2—P2—F4180.000 (1)
C1—C5—H5125.7F6—P3—F6ii174.2 (8)
Co1—C5—H5125.7F6—P3—F5ii94.0 (7)
C10—C6—C7107.5 (8)F6ii—P3—F5ii85.7 (7)
C10—C6—Co169.2 (5)F6—P3—F585.7 (7)
C7—C6—Co169.3 (5)F6ii—P3—F594.0 (7)
C10—C6—H6126.2F5ii—P3—F5173.1 (9)
C7—C6—H6126.2F6—P3—F892.9 (4)
Co1—C6—H6126.2F6ii—P3—F892.9 (4)
C8—C7—C6106.4 (8)F5ii—P3—F893.4 (4)
C8—C7—Co169.7 (5)F5—P3—F893.4 (4)
C6—C7—Co169.4 (4)F6—P3—F787.1 (4)
C8—C7—H7126.8F6ii—P3—F787.1 (4)
C6—C7—H7126.8F5ii—P3—F786.6 (4)
Co1—C7—H7126.8F5—P3—F786.6 (4)
C7—C8—C9107.9 (8)F8—P3—F7180.000 (2)
C9—Co1—C1—C545.1 (8)C8—Co1—C6—C738.5 (5)
C10—Co1—C1—C582.2 (5)C1—Co1—C6—C7128.0 (5)
C2—Co1—C1—C5118.8 (5)C4—Co1—C6—C7149.4 (9)
C7—Co1—C1—C5167.7 (5)C3—Co1—C6—C744.8 (9)
C6—Co1—C1—C5125.2 (4)C10—C6—C7—C81.3 (8)
C8—Co1—C1—C5155.8 (15)Co1—C6—C7—C860.2 (5)
C4—Co1—C1—C537.3 (4)C10—C6—C7—Co158.9 (5)
C3—Co1—C1—C581.6 (4)C9—Co1—C7—C837.6 (6)
C9—Co1—C1—C2163.9 (6)C10—Co1—C7—C880.3 (6)
C10—Co1—C1—C2159.0 (4)C2—Co1—C7—C8126.0 (5)
C5—Co1—C1—C2118.8 (5)C5—Co1—C7—C8151.9 (13)
C7—Co1—C1—C273.6 (5)C6—Co1—C7—C8117.5 (7)
C6—Co1—C1—C2116.0 (4)C1—Co1—C7—C8168.4 (5)
C8—Co1—C1—C237.0 (16)C4—Co1—C7—C844.8 (9)
C4—Co1—C1—C281.5 (4)C3—Co1—C7—C882.5 (6)
C3—Co1—C1—C237.1 (4)C9—Co1—C7—C679.9 (5)
C9—Co1—C1—P178.4 (8)C10—Co1—C7—C637.1 (5)
C10—Co1—C1—P141.3 (5)C2—Co1—C7—C6116.6 (5)
C2—Co1—C1—P1117.7 (5)C5—Co1—C7—C634.4 (16)
C5—Co1—C1—P1123.6 (5)C8—Co1—C7—C6117.5 (7)
C7—Co1—C1—P144.1 (6)C1—Co1—C7—C674.1 (6)
C6—Co1—C1—P11.7 (5)C4—Co1—C7—C6162.3 (6)
C8—Co1—C1—P180.7 (16)C3—Co1—C7—C6160.0 (5)
C4—Co1—C1—P1160.8 (4)C6—C7—C8—C92.1 (9)
C3—Co1—C1—P1154.8 (4)Co1—C7—C8—C957.8 (5)
C5—C1—C2—C31.2 (7)C6—C7—C8—Co159.9 (5)
P1—C1—C2—C3180.0 (4)C9—Co1—C8—C7120.0 (8)
Co1—C1—C2—C359.9 (4)C10—Co1—C8—C782.4 (6)
C5—C1—C2—Co158.7 (4)C2—Co1—C8—C775.1 (6)
P1—C1—C2—Co1120.1 (4)C5—Co1—C8—C7168.0 (6)
C9—Co1—C2—C330.1 (13)C6—Co1—C8—C739.1 (5)
C10—Co1—C2—C3167.9 (7)C1—Co1—C8—C744.7 (18)
C5—Co1—C2—C381.6 (5)C4—Co1—C8—C7158.1 (5)
C7—Co1—C2—C3111.9 (5)C3—Co1—C8—C7114.7 (6)
C6—Co1—C2—C3155.9 (5)C10—Co1—C8—C937.6 (6)
C8—Co1—C2—C370.0 (6)C2—Co1—C8—C9164.9 (5)
C1—Co1—C2—C3119.7 (6)C5—Co1—C8—C948.0 (10)
C4—Co1—C2—C338.0 (4)C7—Co1—C8—C9120.0 (8)
C9—Co1—C2—C1149.8 (11)C6—Co1—C8—C980.9 (6)
C10—Co1—C2—C148.2 (9)C1—Co1—C8—C9164.7 (13)
C5—Co1—C2—C138.1 (3)C4—Co1—C8—C981.9 (6)
C7—Co1—C2—C1128.4 (4)C3—Co1—C8—C9125.3 (6)
C6—Co1—C2—C184.4 (5)C7—C8—C9—C102.2 (9)
C8—Co1—C2—C1170.3 (5)Co1—C8—C9—C1060.7 (5)
C4—Co1—C2—C181.6 (4)C7—C8—C9—Co158.5 (5)
C3—Co1—C2—C1119.7 (6)C2—Co1—C9—C10168.4 (10)
C1—C2—C3—C40.8 (7)C5—Co1—C9—C1086.3 (6)
Co1—C2—C3—C458.7 (5)C7—Co1—C9—C1080.9 (6)
C1—C2—C3—Co159.4 (4)C6—Co1—C9—C1036.4 (5)
C9—Co1—C3—C2170.5 (4)C8—Co1—C9—C10118.0 (8)
C10—Co1—C3—C2162.6 (10)C1—Co1—C9—C1055.1 (9)
C5—Co1—C3—C282.4 (4)C4—Co1—C9—C10128.1 (5)
C7—Co1—C3—C286.6 (5)C3—Co1—C9—C10168.0 (5)
C6—Co1—C3—C254.5 (8)C10—Co1—C9—C8118.0 (8)
C8—Co1—C3—C2129.1 (5)C2—Co1—C9—C850.3 (14)
C1—Co1—C3—C238.1 (4)C5—Co1—C9—C8155.7 (6)
C4—Co1—C3—C2119.4 (6)C7—Co1—C9—C837.2 (6)
C9—Co1—C3—C470.1 (5)C6—Co1—C9—C881.7 (6)
C10—Co1—C3—C443.1 (12)C1—Co1—C9—C8173.1 (6)
C2—Co1—C3—C4119.4 (6)C4—Co1—C9—C8113.8 (6)
C5—Co1—C3—C437.1 (4)C3—Co1—C9—C873.9 (7)
C7—Co1—C3—C4154.0 (4)C8—C9—C10—C61.4 (9)
C6—Co1—C3—C4174.0 (6)Co1—C9—C10—C659.4 (5)
C8—Co1—C3—C4111.5 (5)C8—C9—C10—Co160.8 (5)
C1—Co1—C3—C481.3 (4)C7—C6—C10—C90.1 (9)
C2—C3—C4—C50.0 (8)Co1—C6—C10—C958.9 (6)
Co1—C3—C4—C558.5 (5)C7—C6—C10—Co158.9 (5)
C2—C3—C4—Co158.5 (5)C2—Co1—C10—C9172.6 (6)
C9—Co1—C4—C5112.2 (5)C5—Co1—C10—C9109.6 (5)
C10—Co1—C4—C574.2 (5)C7—Co1—C10—C983.0 (6)
C2—Co1—C4—C582.6 (4)C6—Co1—C10—C9121.3 (7)
C7—Co1—C4—C5174.4 (6)C8—Co1—C10—C938.9 (6)
C6—Co1—C4—C550.9 (12)C1—Co1—C10—C9152.7 (5)
C8—Co1—C4—C5154.6 (5)C4—Co1—C10—C968.7 (6)
C1—Co1—C4—C537.9 (4)C3—Co1—C10—C935.2 (13)
C3—Co1—C4—C5120.0 (6)C9—Co1—C10—C6121.3 (7)
C9—Co1—C4—C3127.8 (5)C2—Co1—C10—C651.3 (9)
C10—Co1—C4—C3165.8 (4)C5—Co1—C10—C6129.1 (5)
C2—Co1—C4—C337.4 (4)C7—Co1—C10—C638.3 (5)
C5—Co1—C4—C3120.0 (6)C8—Co1—C10—C682.4 (6)
C7—Co1—C4—C354.4 (8)C1—Co1—C10—C686.0 (5)
C6—Co1—C4—C3170.9 (9)C4—Co1—C10—C6170.0 (4)
C8—Co1—C4—C385.4 (5)C3—Co1—C10—C6156.5 (10)
C1—Co1—C4—C382.1 (4)C16—C11—C12—C130.3 (9)
C3—C4—C5—C10.8 (8)P1—C11—C12—C13177.0 (6)
Co1—C4—C5—C159.5 (4)C11—C12—C13—C140.9 (11)
C3—C4—C5—Co158.7 (5)C12—C13—C14—C150.5 (13)
C2—C1—C5—C41.2 (7)C13—C14—C15—C160.4 (12)
P1—C1—C5—C4179.9 (5)C12—C11—C16—C150.6 (9)
Co1—C1—C5—C459.7 (5)P1—C11—C16—C15175.9 (5)
C2—C1—C5—Co158.5 (4)C14—C15—C16—C111.0 (11)
P1—C1—C5—Co1120.2 (5)C22—C17—C18—C191.7 (9)
C9—Co1—C5—C482.8 (5)P1—C17—C18—C19179.4 (5)
C10—Co1—C5—C4124.7 (5)C17—C18—C19—C202.1 (10)
C2—Co1—C5—C481.2 (4)C18—C19—C20—C212.4 (10)
C7—Co1—C5—C4168.0 (13)C19—C20—C21—C222.1 (10)
C6—Co1—C5—C4163.9 (5)C20—C21—C22—C171.7 (9)
C8—Co1—C5—C450.0 (9)C18—C17—C22—C211.5 (8)
C1—Co1—C5—C4119.6 (6)P1—C17—C22—C21179.2 (5)
C3—Co1—C5—C437.7 (4)C5—C1—P1—C1189.4 (5)
C9—Co1—C5—C1157.5 (4)C2—C1—P1—C1192.2 (5)
C10—Co1—C5—C1115.7 (4)Co1—C1—P1—C11179.5 (3)
C2—Co1—C5—C138.4 (3)C5—C1—P1—C1721.5 (6)
C7—Co1—C5—C148.3 (15)C2—C1—P1—C17156.9 (5)
C6—Co1—C5—C176.5 (5)Co1—C1—P1—C1769.6 (4)
C8—Co1—C5—C1169.6 (7)C5—C1—P1—Au1149.5 (5)
C4—Co1—C5—C1119.6 (6)C2—C1—P1—Au129.0 (5)
C3—Co1—C5—C181.9 (4)Co1—C1—P1—Au158.4 (4)
C9—Co1—C6—C1036.1 (5)C16—C11—P1—C12.2 (6)
C2—Co1—C6—C10157.4 (5)C12—C11—P1—C1178.8 (4)
C5—Co1—C6—C1069.9 (6)C16—C11—P1—C17113.9 (5)
C7—Co1—C6—C10119.2 (7)C12—C11—P1—C1769.5 (5)
C8—Co1—C6—C1080.6 (6)C16—C11—P1—Au1120.0 (5)
C1—Co1—C6—C10112.8 (5)C12—C11—P1—Au156.6 (5)
C4—Co1—C6—C1030.2 (12)C18—C17—P1—C171.4 (5)
C3—Co1—C6—C10164.0 (6)C22—C17—P1—C1110.9 (4)
C9—Co1—C6—C783.1 (5)C18—C17—P1—C1137.8 (5)
C10—Co1—C6—C7119.2 (7)C22—C17—P1—C11139.9 (4)
C2—Co1—C6—C783.4 (5)C18—C17—P1—Au1161.8 (4)
C5—Co1—C6—C7171.0 (5)C22—C17—P1—Au115.9 (5)
Symmetry codes: (i) x+1, y, z+1/2; (ii) x, y, z+1/2.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C5—H5···F5iii0.982.563.249 (11)128
C8—H8···F4iii0.982.413.090 (10)126
C10—H10···F8iii0.982.533.185 (12)125
Symmetry code: (iii) x+1/2, y+1/2, z.

Experimental details

Crystal data
Chemical formula[AuCo(C5H5)(C17H14P)Cl]PF6
Mr750.66
Crystal system, space groupMonoclinic, C2/c
Temperature (K)292
a, b, c (Å)11.5565 (14), 14.8537 (14), 27.983 (3)
β (°) 97.577 (2)
V3)4761.6 (9)
Z8
Radiation typeMo Kα
µ (mm1)7.15
Crystal size (mm)0.20 × 0.20 × 0.20
Data collection
DiffractometerBruker APEX CCD
diffractometer
Absorption correction
No. of measured, independent and
observed [I > 2σ(I)] reflections
24437, 4680, 4190
Rint0.183
(sin θ/λ)max1)0.617
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.048, 0.125, 1.06
No. of reflections4680
No. of parameters301
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)3.36, 1.59

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

Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C5—H5···F5i0.982.563.249 (11)128
C8—H8···F4i0.982.413.090 (10)126
C10—H10···F8i0.982.533.185 (12)125
Symmetry code: (i) x+1/2, y+1/2, z.
 

Acknowledgements

The authors acknowledge financial support from the National Natural Science Foundation of China (grant No. 21002086) and the Application Foundation of Yunnan Provice (grant No. 2010ZC071).

References

First citationBruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.  Google Scholar
First citationChen, Y., Wu, X.-H., Yu, G.-A., Jin, S., Meng, X.-G. & Liu, S.-H. (2009). Transition Met. Chem. 34, 103–108.  CrossRef 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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