Chloro­[tris­(per­fluoro­phenyl)­phosphine]­gold(I)

Chen, H.W.; Tiekink, E.R.T.

doi:10.1107/S1600536802023425

Chloro[tris(perfluorophenyl)phosphine]gold(I)

The Au atom in the title compound, [AuCl{(C₆F₅)₃P}], exists within a P and Cl donor set that constitutes a linear geometry. There are two independent molecules in the asymmetric unit; the Au-P and Au-Cl bond lengths and the P-Au-Cl angle are 2.2060 (9), 2.2688 (9) Å and 172.68 (3)°, respectively, for molecule 1 and 2.2149 (9) 2.2706 (9) Å and 176.54 (3)°, respectively, for molecule 2.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536802023425/lh6026sup1.cif Contains datablocks general, I
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536802023425/lh6026Isup2.hkl Contains datablock I

CCDC reference: 204651

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Key indicators

Single-crystal X-ray study
T = 183 K
Mean (C-C) = 0.006 Å
R factor = 0.031
wR factor = 0.074
Data-to-parameter ratio = 18.3

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No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



CHEMS_02  Please check that you have entered the correct
          _publ_requested_category classification of your compound;
          FI or CI or EI for inorganic; FM or CM or EM for metal-organic;
          FO or CO or EO for organic.
          From the CIF: _publ_requested_category    EM
          From the CIF: _chemical_formula_sum :C18 Au1 Cl1 F15 P1

General Notes



ABSTM_02  When printed, the submitted absorption T values will be replaced
          by the scaled T values. Since the ratio of scaled T's is
          identical to the ratio of reported T values, the scaling does
          not imply a change to the absorption corrections used in the
          study.
          Ratio of Tmax expected/reported      0.162
          Tmax scaled      0.162 Tmin scaled      0.053


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 1 Alert Level C = Please check

Comment top

Phosphinegold(I) thiolates form an important class of compounds that display anti-arthritic activity and potential as antitumour agents (Tiekink, 2002). They are conveniently prepared from their phosphinegold(I) chloride precursors and it is in this context that the title compound, (C₆F₅)₃PAuCl, a known compound (Jacob et al., 1997), was prepared and characterized. Two independent molecules comprise the asymmetric unit Au gold atom defined by a P and Cl donor set. The geometric parameters defining the Au atom geometry are in essential agreement with each other, and the Au—P distances are significantly shorter than the Au—Cl distances. The sequence of dihedral angles formed between the aromatic rings for molecule 1 are 76.89 (18), 73.83 (19) and 78.0 (2)°, and this distribution is more symmetric than that found for molecule 2 of 65.73 (17), 68.74 (17) and 89.98 (18)°. As highlighted in Fig. 1, the two independent molecules are in close proximity so as to form weak Au···Cl interactions, such that Au1···Cl2 is 3.5428 (9) Å and Au2···Cl1 is shorter at 3.4111 (9) Å. The Au1···Au2 separation is 3.7828 (3) Å. While there are many close F···F contacts in the lattice, the shortest contact involves the F15 and C3ⁱ atoms [symmetry code: (i) −0.5 − x, 0.5 + y, 0.5 − z]. A closer examination of this interaction reveals that in fact the F15 atom is directed towards the ring centroid of the C1–C6 ring so that this distance is 3.171 (3) Å, with an angle of 161.1 (3)° subtended at the F15 atom. A recent review emphasizes the importance of such interactions in the crystal structures of fluorinated molecules (Prasanna & Guru Row, 2000).

Experimental top

The title compound was prepared from the reaction between Na[AuCl₄]·2H₂O (Aldrich) and (C₆F₅)₃P (Lancaster Synthesis) using established procedures (Al—Saády et al., 1985). Colourless crystals were obtained in 72% yield from the layering of ethanol into a concentrated CH₂Cl₂ solution of the compound; m.p. 469.6 K (decomposition). Found: C 28.28%; C₁₈AuClF₁₅P requires: C 28.36%. ¹³C NMR (CDCl₃): δ 147.6 (d, J = 256 Hz), 145.2 (d, J = 258 Hz), 138.2 p.p.m. (d, J = 269 Hz) [P—C was not observed in accord with the literature (Jacob et al., 1997)]. ¹⁹F NMR (CDCl₃): δ −77.45 (t, 6 F, J = 19 Hz), −90.57 (d, 3 F, J = 23 Hz), −105.91 p.p.m. (t, 6 F, J = 19 Hz). ³¹P NMR (CDCl₃): δ −33.2 p.p.m.

Computing details top

Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2000); data reduction: SHELXTL (Bruker, 2000); program(s) used to solve structure: PATTY in DIRDIF92 (Beurskens et al., 1992); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHEXLTL.

Figures top

Fig. 1. The molecular structure and crystallographic numbering scheme for the two independent molecules of (C₆F₅)₃PAuCl, highlighting the intermolecular Au····Cl contacts. Atom C20 is obscured. F atoms are labelled according to the atom to which they are bonded. Displacement ellipsoids are shown at the 50% probability level (Johnson, 1976).

(I) top

Crystal data top

[AuCl(C₁₈F₁₅P)]	F(000) = 2832
M_r = 764.57	D_x = 2.494 Mg m⁻³
Monoclinic, P2₁/n	Mo Kα radiation, λ = 0.71069 Å
Hall symbol: -P 2yn	Cell parameters from 8793 reflections
a = 15.4344 (7) Å	θ = 2.3–29.9°
b = 11.8116 (5) Å	µ = 7.58 mm⁻¹
c = 22.4469 (10) Å	T = 183 K
β = 95.632 (1)°	Block, colourless
V = 4072.4 (3) Å³	0.42 × 0.36 × 0.24 mm
Z = 8

Data collection top

Bruker AXS SMART CCD diffractometer	11871 independent reflections
Radiation source: fine-focus sealed tube	8712 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.035
ω scans	θ_max = 30.0°, θ_min = 1.5°
Absorption correction: multi-scan (SADABS; Bruker, 2000)	h = −20→21
T_min = 0.329, T_max = 1	k = −13→16
33627 measured reflections	l = −31→31

Refinement top

Refinement on F²	0 restraints
Least-squares matrix: full	Primary atom site location: structure-invariant direct methods
R[F² > 2σ(F²)] = 0.031	Secondary atom site location: difference Fourier map
wR(F²) = 0.074	w = 1/[σ²(F_o²) + (0.0327P)²] where P = (F_o² + 2F_c²)/3
S = 1.01	(Δ/σ)_max = 0.001
11871 reflections	Δρ_max = 1.04 e Å⁻³
649 parameters	Δρ_min = −0.88 e Å⁻³

Crystal data top

[AuCl(C₁₈F₁₅P)]	V = 4072.4 (3) Å³
M_r = 764.57	Z = 8
Monoclinic, P2₁/n	Mo Kα radiation
a = 15.4344 (7) Å	µ = 7.58 mm⁻¹
b = 11.8116 (5) Å	T = 183 K
c = 22.4469 (10) Å	0.42 × 0.36 × 0.24 mm
β = 95.632 (1)°

Data collection top

Bruker AXS SMART CCD diffractometer	11871 independent reflections
Absorption correction: multi-scan (SADABS; Bruker, 2000)	8712 reflections with I > 2σ(I)
T_min = 0.329, T_max = 1	R_int = 0.035
33627 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.031	649 parameters
wR(F²) = 0.074	0 restraints
S = 1.01	Δρ_max = 1.04 e Å⁻³
11871 reflections	Δρ_min = −0.88 e Å⁻³

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

	x	y	z	U_iso*/U_eq
Au1	0.040598 (8)	−0.005715 (11)	0.399109 (6)	0.02733 (4)
Au2	0.193708 (9)	−0.008395 (12)	0.277452 (6)	0.03058 (4)
Cl1	0.18470 (6)	−0.02563 (9)	0.42841 (4)	0.0408 (2)
Cl2	0.06233 (6)	−0.08885 (9)	0.24966 (4)	0.0414 (2)
P1	−0.09997 (6)	0.02838 (7)	0.38043 (4)	0.02458 (17)
P2	0.32227 (6)	0.06392 (8)	0.30957 (4)	0.02826 (19)
F2	−0.29464 (14)	−0.0123 (2)	0.35121 (10)	0.0471 (6)
F3	−0.39636 (15)	−0.1614 (3)	0.39918 (11)	0.0686 (8)
F4	−0.32972 (18)	−0.3039 (2)	0.48575 (11)	0.0691 (8)
F5	−0.15732 (17)	−0.2935 (2)	0.52516 (10)	0.0551 (6)
F6	−0.05505 (13)	−0.14626 (18)	0.47909 (8)	0.0386 (5)
F8	0.00225 (15)	0.23748 (19)	0.37324 (12)	0.0581 (7)
F9	−0.00933 (18)	0.4345 (2)	0.42868 (15)	0.0790 (9)
F10	−0.1477 (2)	0.4769 (2)	0.49205 (16)	0.0798 (10)
F11	−0.27230 (17)	0.3187 (2)	0.49793 (11)	0.0651 (8)
F12	−0.26157 (13)	0.12331 (19)	0.44501 (10)	0.0439 (5)
F14	−0.16680 (19)	0.2188 (2)	0.28782 (11)	0.0671 (8)
F15	−0.2146 (2)	0.1912 (3)	0.17257 (13)	0.1049 (12)
F16	−0.2087 (3)	−0.0142 (3)	0.12024 (13)	0.1127 (16)
F17	−0.1575 (2)	−0.1971 (3)	0.18768 (12)	0.0841 (10)
F18	−0.11363 (15)	−0.17327 (19)	0.30509 (10)	0.0476 (6)
F20	0.37681 (13)	0.0793 (2)	0.44991 (9)	0.0389 (5)
F21	0.43246 (14)	−0.0895 (2)	0.52086 (9)	0.0511 (6)
F22	0.46341 (16)	−0.2965 (2)	0.47520 (12)	0.0639 (7)
F23	0.43758 (16)	−0.3317 (2)	0.35504 (12)	0.0606 (7)
F24	0.37854 (14)	−0.16335 (18)	0.28267 (9)	0.0420 (5)
F26	0.52210 (15)	0.00519 (19)	0.30157 (12)	0.0546 (7)
F27	0.61435 (18)	0.0479 (3)	0.21003 (14)	0.0813 (9)
F28	0.54288 (19)	0.1557 (2)	0.11207 (11)	0.0720 (8)
F29	0.37291 (19)	0.2169 (2)	0.10427 (10)	0.0696 (8)
F30	0.27867 (15)	0.1791 (2)	0.19621 (10)	0.0493 (6)
F32	0.47318 (14)	0.2013 (2)	0.36481 (9)	0.0461 (6)
F33	0.47381 (19)	0.4120 (2)	0.40985 (11)	0.0677 (8)
F34	0.3218 (2)	0.5250 (2)	0.41370 (13)	0.0776 (10)
F35	0.17026 (18)	0.4280 (2)	0.37122 (11)	0.0661 (8)
F36	0.16704 (14)	0.21945 (19)	0.32728 (10)	0.0464 (6)
C1	−0.1706 (2)	−0.0715 (3)	0.41344 (14)	0.0264 (7)
C2	−0.2586 (2)	−0.0805 (3)	0.39422 (15)	0.0337 (8)
C3	−0.3126 (3)	−0.1560 (4)	0.41866 (17)	0.0435 (10)
C4	−0.2779 (3)	−0.2288 (4)	0.46253 (17)	0.0450 (10)
C5	−0.1913 (3)	−0.2241 (3)	0.48213 (16)	0.0372 (9)
C6	−0.1386 (2)	−0.1463 (3)	0.45774 (14)	0.0302 (7)
C7	−0.1255 (2)	0.1675 (3)	0.40940 (15)	0.0282 (7)
C8	−0.0647 (2)	0.2531 (3)	0.40596 (18)	0.0400 (9)
C9	−0.0717 (3)	0.3557 (3)	0.4333 (2)	0.0508 (11)
C10	−0.1403 (3)	0.3772 (3)	0.46499 (19)	0.0495 (11)
C11	−0.2035 (3)	0.2980 (4)	0.46831 (17)	0.0437 (10)
C12	−0.1962 (2)	0.1950 (3)	0.44068 (16)	0.0341 (8)
C13	−0.1382 (2)	0.0224 (3)	0.30148 (15)	0.0311 (8)
C14	−0.1638 (3)	0.1143 (4)	0.26525 (18)	0.0471 (10)
C15	−0.1880 (3)	0.1006 (5)	0.2045 (2)	0.0650 (15)
C16	−0.1844 (3)	−0.0030 (5)	0.1793 (2)	0.0640 (16)
C17	−0.1603 (3)	−0.0954 (5)	0.21193 (19)	0.0547 (12)
C18	−0.1376 (2)	−0.0823 (4)	0.27254 (17)	0.0391 (9)
C19	0.3756 (2)	−0.0362 (3)	0.36283 (15)	0.0281 (7)
C20	0.3904 (2)	−0.0205 (3)	0.42438 (16)	0.0320 (8)
C21	0.4187 (2)	−0.1081 (4)	0.46199 (16)	0.0375 (9)
C22	0.4334 (2)	−0.2123 (4)	0.43917 (18)	0.0440 (10)
C23	0.4197 (2)	−0.2309 (3)	0.3782 (2)	0.0423 (10)
C24	0.3911 (2)	−0.1429 (3)	0.34180 (16)	0.0338 (8)
C25	0.3954 (2)	0.0884 (3)	0.25200 (14)	0.0302 (7)
C26	0.4819 (2)	0.0580 (3)	0.25365 (17)	0.0391 (9)
C27	0.5311 (3)	0.0792 (4)	0.2066 (2)	0.0495 (11)
C28	0.4938 (3)	0.1334 (3)	0.15671 (18)	0.0483 (11)
C29	0.4093 (3)	0.1655 (3)	0.15325 (16)	0.0455 (10)
C30	0.3616 (3)	0.1436 (3)	0.20058 (16)	0.0365 (8)
C31	0.3203 (2)	0.2015 (3)	0.34443 (14)	0.0314 (8)
C32	0.3968 (3)	0.2561 (3)	0.36610 (16)	0.0389 (9)
C33	0.3985 (3)	0.3643 (4)	0.38966 (17)	0.0485 (11)
C34	0.3219 (4)	0.4212 (4)	0.39098 (18)	0.0530 (12)
C35	0.2453 (3)	0.3717 (4)	0.36951 (18)	0.0497 (11)
C36	0.2446 (3)	0.2631 (3)	0.34680 (16)	0.0387 (9)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Au1	0.02126 (7)	0.03216 (8)	0.02828 (7)	0.00068 (5)	0.00087 (5)	−0.00120 (5)
Au2	0.02492 (7)	0.03912 (9)	0.02739 (7)	0.00005 (5)	0.00105 (5)	−0.00090 (6)
Cl1	0.0224 (4)	0.0631 (6)	0.0365 (5)	0.0030 (4)	0.0001 (4)	−0.0047 (4)
Cl2	0.0292 (5)	0.0568 (6)	0.0384 (5)	−0.0059 (4)	0.0049 (4)	−0.0109 (4)
P1	0.0222 (4)	0.0266 (4)	0.0248 (4)	0.0010 (3)	0.0018 (3)	0.0012 (3)
P2	0.0268 (4)	0.0337 (5)	0.0242 (4)	0.0003 (4)	0.0021 (3)	0.0012 (4)
F2	0.0246 (11)	0.0739 (18)	0.0419 (13)	−0.0005 (10)	−0.0018 (10)	0.0168 (11)
F3	0.0342 (14)	0.106 (2)	0.0657 (16)	−0.0280 (14)	0.0072 (12)	0.0072 (16)
F4	0.082 (2)	0.0670 (19)	0.0631 (16)	−0.0367 (15)	0.0319 (15)	0.0059 (14)
F5	0.0813 (18)	0.0420 (14)	0.0447 (13)	0.0041 (12)	0.0194 (13)	0.0166 (11)
F6	0.0389 (12)	0.0441 (13)	0.0319 (10)	0.0079 (9)	−0.0014 (9)	0.0096 (9)
F8	0.0437 (14)	0.0374 (14)	0.098 (2)	−0.0074 (11)	0.0289 (13)	0.0061 (13)
F9	0.0632 (18)	0.0312 (14)	0.142 (3)	−0.0109 (13)	0.0057 (17)	−0.0063 (17)
F10	0.087 (2)	0.0441 (16)	0.107 (3)	0.0077 (14)	0.0055 (19)	−0.0347 (16)
F11	0.0676 (18)	0.0623 (18)	0.0691 (17)	0.0208 (14)	0.0259 (14)	−0.0141 (14)
F12	0.0344 (12)	0.0424 (13)	0.0572 (14)	0.0030 (10)	0.0166 (10)	0.0022 (11)
F14	0.095 (2)	0.0490 (16)	0.0568 (16)	0.0228 (15)	0.0060 (15)	0.0230 (13)
F15	0.118 (3)	0.135 (3)	0.0586 (18)	0.019 (2)	−0.0079 (18)	0.057 (2)
F16	0.106 (3)	0.197 (5)	0.0295 (14)	−0.029 (2)	−0.0197 (17)	−0.0013 (18)
F17	0.089 (2)	0.105 (3)	0.0596 (17)	−0.0318 (19)	0.0143 (16)	−0.0482 (17)
F18	0.0569 (15)	0.0371 (13)	0.0503 (14)	−0.0039 (11)	0.0123 (11)	−0.0081 (11)
F20	0.0351 (12)	0.0516 (14)	0.0297 (10)	−0.0044 (10)	0.0017 (9)	−0.0043 (10)
F21	0.0383 (13)	0.0827 (19)	0.0307 (11)	−0.0098 (12)	−0.0047 (9)	0.0170 (12)
F22	0.0531 (15)	0.0639 (18)	0.0735 (17)	0.0066 (13)	0.0006 (13)	0.0400 (14)
F23	0.0639 (17)	0.0362 (14)	0.0834 (19)	0.0055 (12)	0.0164 (14)	0.0083 (13)
F24	0.0502 (14)	0.0382 (13)	0.0378 (12)	0.0019 (10)	0.0052 (10)	−0.0041 (10)
F26	0.0280 (12)	0.077 (2)	0.0599 (16)	0.0064 (11)	0.0083 (11)	0.0264 (13)
F27	0.0540 (18)	0.097 (2)	0.101 (2)	0.0075 (17)	0.0469 (16)	0.019 (2)
F28	0.109 (2)	0.0587 (18)	0.0568 (16)	−0.0275 (16)	0.0518 (16)	−0.0058 (13)
F29	0.109 (2)	0.0624 (18)	0.0364 (13)	−0.0163 (15)	0.0023 (14)	0.0189 (12)
F30	0.0511 (15)	0.0501 (15)	0.0446 (13)	0.0048 (11)	−0.0068 (11)	0.0131 (11)
F32	0.0397 (13)	0.0542 (15)	0.0436 (12)	−0.0080 (11)	−0.0006 (10)	−0.0015 (11)
F33	0.095 (2)	0.0570 (17)	0.0501 (15)	−0.0335 (15)	0.0012 (14)	−0.0077 (13)
F34	0.136 (3)	0.0341 (15)	0.0694 (19)	−0.0092 (16)	0.0439 (19)	−0.0083 (13)
F35	0.094 (2)	0.0438 (15)	0.0660 (16)	0.0302 (14)	0.0363 (15)	0.0147 (13)
F36	0.0414 (13)	0.0471 (14)	0.0515 (13)	0.0134 (10)	0.0095 (11)	0.0092 (11)
C1	0.0256 (17)	0.0280 (18)	0.0266 (16)	−0.0032 (13)	0.0075 (13)	−0.0006 (14)
C2	0.0315 (19)	0.043 (2)	0.0269 (17)	−0.0030 (16)	0.0046 (15)	0.0015 (16)
C3	0.036 (2)	0.060 (3)	0.036 (2)	−0.0129 (19)	0.0125 (17)	−0.0038 (19)
C4	0.059 (3)	0.046 (2)	0.034 (2)	−0.021 (2)	0.0226 (19)	−0.0046 (18)
C5	0.057 (3)	0.0283 (19)	0.0282 (18)	0.0016 (17)	0.0137 (17)	−0.0016 (15)
C6	0.038 (2)	0.0295 (19)	0.0238 (16)	0.0002 (15)	0.0053 (15)	−0.0044 (14)
C7	0.0296 (17)	0.0245 (17)	0.0307 (17)	0.0026 (13)	0.0034 (14)	0.0014 (14)
C8	0.034 (2)	0.030 (2)	0.056 (2)	−0.0004 (15)	0.0066 (18)	0.0037 (18)
C9	0.044 (2)	0.030 (2)	0.077 (3)	−0.0050 (18)	−0.001 (2)	−0.004 (2)
C10	0.058 (3)	0.032 (2)	0.056 (3)	0.012 (2)	−0.007 (2)	−0.015 (2)
C11	0.049 (2)	0.041 (2)	0.041 (2)	0.0101 (19)	0.0047 (19)	−0.0063 (18)
C12	0.036 (2)	0.031 (2)	0.0345 (19)	0.0054 (15)	0.0009 (16)	0.0001 (16)
C13	0.0228 (17)	0.044 (2)	0.0266 (16)	0.0001 (14)	0.0009 (13)	0.0061 (15)
C14	0.041 (2)	0.061 (3)	0.039 (2)	0.007 (2)	0.0019 (18)	0.012 (2)
C15	0.058 (3)	0.098 (4)	0.037 (2)	0.004 (3)	−0.004 (2)	0.029 (3)
C16	0.052 (3)	0.111 (5)	0.027 (2)	−0.013 (3)	−0.002 (2)	−0.003 (3)
C17	0.044 (3)	0.084 (4)	0.038 (2)	−0.019 (2)	0.0082 (19)	−0.016 (2)
C18	0.030 (2)	0.054 (3)	0.0334 (19)	−0.0046 (17)	0.0047 (16)	−0.0053 (19)
C19	0.0203 (16)	0.0360 (19)	0.0279 (16)	−0.0015 (13)	0.0020 (13)	0.0049 (15)
C20	0.0215 (17)	0.043 (2)	0.0318 (18)	−0.0053 (14)	0.0035 (14)	0.0029 (16)
C21	0.0219 (18)	0.057 (3)	0.0334 (19)	−0.0044 (16)	0.0014 (15)	0.0134 (18)
C22	0.0255 (19)	0.056 (3)	0.050 (2)	0.0006 (17)	0.0035 (17)	0.030 (2)
C23	0.033 (2)	0.035 (2)	0.060 (3)	−0.0029 (16)	0.0125 (19)	0.0094 (19)
C24	0.0271 (18)	0.038 (2)	0.0365 (19)	−0.0027 (15)	0.0052 (15)	0.0035 (16)
C25	0.0351 (19)	0.0294 (19)	0.0264 (17)	−0.0027 (14)	0.0048 (14)	−0.0016 (14)
C26	0.035 (2)	0.038 (2)	0.045 (2)	0.0004 (16)	0.0080 (17)	0.0047 (18)
C27	0.042 (2)	0.050 (3)	0.061 (3)	−0.0049 (19)	0.025 (2)	0.000 (2)
C28	0.075 (3)	0.034 (2)	0.041 (2)	−0.018 (2)	0.030 (2)	−0.0067 (18)
C29	0.074 (3)	0.033 (2)	0.0296 (19)	−0.014 (2)	0.005 (2)	0.0021 (16)
C30	0.046 (2)	0.029 (2)	0.0335 (19)	−0.0023 (16)	0.0010 (17)	−0.0031 (16)
C31	0.038 (2)	0.0317 (19)	0.0247 (16)	0.0000 (15)	0.0044 (15)	0.0006 (14)
C32	0.045 (2)	0.041 (2)	0.0319 (19)	−0.0031 (18)	0.0098 (17)	0.0035 (17)
C33	0.072 (3)	0.043 (2)	0.031 (2)	−0.016 (2)	0.009 (2)	0.0016 (18)
C34	0.093 (4)	0.035 (2)	0.035 (2)	−0.006 (2)	0.022 (2)	0.0020 (18)
C35	0.072 (3)	0.040 (2)	0.041 (2)	0.016 (2)	0.027 (2)	0.0130 (19)
C36	0.052 (3)	0.035 (2)	0.0300 (19)	0.0074 (18)	0.0105 (17)	0.0087 (16)

Geometric parameters (Å, º) top

Au1—P1	2.2060 (9)	F35—C35	1.339 (5)
Au1—Cl1	2.2688 (9)	F36—C36	1.337 (4)
Au2—P2	2.2149 (9)	C1—C2	1.388 (5)
Au2—Cl2	2.2706 (9)	C1—C6	1.384 (5)
P1—C1	1.813 (3)	C2—C3	1.372 (5)
P1—C7	1.824 (3)	C3—C4	1.376 (6)
P1—C13	1.814 (4)	C4—C5	1.367 (6)
P2—C19	1.820 (3)	C5—C6	1.376 (5)
P2—C25	1.820 (3)	C7—C8	1.388 (5)
P2—C31	1.805 (4)	C7—C12	1.393 (5)
F2—C2	1.336 (4)	C8—C9	1.367 (5)
F3—C3	1.325 (4)	C9—C10	1.356 (6)
F4—C4	1.334 (4)	C10—C11	1.358 (6)
F5—C5	1.334 (4)	C11—C12	1.375 (5)
F6—C6	1.331 (4)	C13—C14	1.391 (5)
F8—C8	1.338 (4)	C13—C18	1.397 (5)
F9—C9	1.351 (5)	C14—C15	1.388 (6)
F10—C10	1.335 (4)	C15—C16	1.350 (7)
F11—C11	1.330 (4)	C16—C17	1.347 (7)
F12—C12	1.328 (4)	C17—C18	1.380 (5)
F14—C14	1.337 (5)	C19—C24	1.374 (5)
F15—C15	1.331 (6)	C19—C20	1.391 (5)
F16—C16	1.348 (5)	C20—C21	1.379 (5)
F17—C17	1.321 (6)	C21—C22	1.360 (6)
F18—C18	1.332 (5)	C22—C23	1.381 (6)
F20—C20	1.337 (4)	C23—C24	1.369 (5)
F21—C21	1.336 (4)	C25—C26	1.380 (5)
F22—C22	1.336 (4)	C25—C30	1.382 (5)
F23—C23	1.339 (5)	C26—C27	1.383 (5)
F24—C24	1.344 (4)	C27—C28	1.368 (6)
F26—C26	1.342 (4)	C28—C29	1.353 (6)
F27—C27	1.332 (5)	C29—C30	1.375 (5)
F28—C28	1.341 (4)	C31—C32	1.390 (5)
F29—C29	1.331 (4)	C31—C36	1.383 (5)
F30—C30	1.341 (4)	C32—C33	1.382 (6)
F32—C32	1.349 (4)	C33—C34	1.362 (6)
F33—C33	1.331 (5)	C34—C35	1.364 (6)
F34—C34	1.327 (5)	C35—C36	1.380 (5)

P1—Au1—Cl1	172.68 (3)	F16—C16—C17	119.3 (5)
P2—Au2—Cl2	176.54 (3)	F17—C17—C16	122.1 (4)
Au1—P1—C1	115.02 (11)	F17—C17—C18	119.5 (5)
Au1—P1—C7	109.85 (11)	C16—C17—C18	118.4 (5)
Au1—P1—C13	113.45 (12)	F18—C18—C17	118.7 (4)
C1—P1—C7	106.31 (15)	F18—C18—C13	118.2 (3)
C7—P1—C13	108.83 (16)	C17—C18—C13	123.1 (4)
C1—P1—C13	102.88 (16)	C24—C19—C20	116.5 (3)
Au2—P2—C19	107.23 (11)	C24—C19—P2	116.9 (3)
Au2—P2—C25	115.35 (11)	C20—C19—P2	125.8 (3)
Au2—P2—C31	115.83 (12)	F20—C20—C21	116.9 (3)
C19—P2—C25	107.31 (16)	F20—C20—C19	121.7 (3)
C19—P2—C31	109.03 (16)	C21—C20—C19	121.3 (4)
C25—P2—C31	101.68 (16)	F21—C21—C22	120.3 (4)
C2—C1—C6	116.3 (3)	F21—C21—C20	119.5 (4)
C2—C1—P1	122.1 (3)	C22—C21—C20	120.2 (4)
C6—C1—P1	121.5 (3)	F22—C22—C21	120.4 (4)
F2—C2—C3	117.1 (3)	F22—C22—C23	119.4 (4)
F2—C2—C1	120.3 (3)	C21—C22—C23	120.2 (4)
C3—C2—C1	122.7 (4)	F23—C23—C24	120.7 (4)
F3—C3—C2	120.7 (4)	F23—C23—C22	120.6 (4)
F3—C3—C4	120.3 (4)	C24—C23—C22	118.6 (4)
C2—C3—C4	118.9 (4)	F24—C24—C23	117.4 (3)
F4—C4—C5	120.4 (4)	F24—C24—C19	119.4 (3)
F4—C4—C3	119.3 (4)	C23—C24—C19	123.2 (4)
C5—C4—C3	120.3 (4)	C26—C25—C30	115.5 (3)
F5—C5—C4	120.7 (3)	C26—C25—P2	127.2 (3)
F5—C5—C6	119.6 (4)	C30—C25—P2	117.3 (3)
C4—C5—C6	119.8 (4)	F26—C26—C25	120.8 (3)
F6—C6—C5	116.5 (3)	F26—C26—C27	116.8 (4)
F6—C6—C1	121.5 (3)	C25—C26—C27	122.3 (4)
C5—C6—C1	122.0 (3)	F27—C27—C28	120.3 (4)
C8—C7—C12	115.2 (3)	F27—C27—C26	120.3 (4)
C8—C7—P1	117.8 (3)	C28—C27—C26	119.4 (4)
C12—C7—P1	126.7 (3)	C29—C28—F28	121.0 (4)
F8—C8—C9	117.9 (3)	C29—C28—C27	120.3 (4)
F8—C8—C7	119.5 (3)	F28—C28—C27	118.7 (4)
C9—C8—C7	122.5 (4)	F29—C29—C28	120.1 (4)
F9—C9—C10	120.7 (4)	F29—C29—C30	120.6 (4)
F9—C9—C8	119.2 (4)	C28—C29—C30	119.3 (4)
C10—C9—C8	120.1 (4)	F30—C30—C29	117.6 (3)
F10—C10—C9	120.7 (4)	F30—C30—C25	119.2 (3)
F10—C10—C11	119.2 (4)	C29—C30—C25	123.2 (4)
C9—C10—C11	120.1 (4)	C32—C31—C36	115.7 (3)
F11—C11—C10	120.9 (4)	C32—C31—P2	121.3 (3)
F11—C11—C12	119.5 (4)	C36—C31—P2	122.7 (3)
C10—C11—C12	119.6 (4)	F32—C32—C31	118.9 (3)
F12—C12—C11	115.8 (3)	F32—C32—C33	117.9 (4)
F12—C12—C7	121.7 (3)	C31—C32—C33	123.1 (4)
C11—C12—C7	122.4 (4)	F33—C33—C34	121.0 (4)
C14—C13—C18	115.7 (4)	F33—C33—C32	120.3 (4)
C14—C13—P1	126.0 (3)	C34—C33—C32	118.7 (4)
C18—C13—P1	118.2 (3)	F34—C34—C35	119.8 (5)
F14—C14—C15	117.7 (4)	F34—C34—C33	119.9 (5)
F14—C14—C13	121.2 (4)	C35—C34—C33	120.3 (4)
C15—C14—C13	121.1 (5)	F35—C35—C34	120.0 (4)
F15—C15—C16	121.8 (4)	F35—C35—C36	119.8 (4)
F15—C15—C14	118.3 (5)	C34—C35—C36	120.2 (4)
C16—C15—C14	119.9 (5)	F36—C36—C35	117.0 (4)
C15—C16—F16	118.8 (5)	F36—C36—C31	121.2 (3)
C15—C16—C17	121.8 (4)	C35—C36—C31	121.8 (4)

Experimental details

Crystal data
Chemical formula	[AuCl(C₁₈F₁₅P)]
M_r	764.57
Crystal system, space group	Monoclinic, P2₁/n
Temperature (K)	183
a, b, c (Å)	15.4344 (7), 11.8116 (5), 22.4469 (10)
β (°)	95.632 (1)
V (Å³)	4072.4 (3)
Z	8
Radiation type	Mo Kα
µ (mm⁻¹)	7.58
Crystal size (mm)	0.42 × 0.36 × 0.24

Data collection
Diffractometer	Bruker AXS SMART CCD diffractometer
Absorption correction	Multi-scan (SADABS; Bruker, 2000)
T_min, T_max	0.329, 1
No. of measured, independent and observed [I > 2σ(I)] reflections	33627, 11871, 8712
R_int	0.035
(sin θ/λ)_max (Å⁻¹)	0.704

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.031, 0.074, 1.01
No. of reflections	11871
No. of parameters	649
Δρ_max, Δρ_min (e Å⁻³)	1.04, −0.88

Computer programs: SMART (Bruker, 2000), SAINT (Bruker, 2000), SHELXTL (Bruker, 2000), PATTY in DIRDIF92 (Beurskens et al., 1992), SHELXL97 (Sheldrick, 1997), ORTEPII (Johnson, 1976), SHEXLTL.

Selected geometric parameters (Å, º) top

Au1—P1	2.2060 (9)	P1—C7	1.824 (3)
Au1—Cl1	2.2688 (9)	P1—C13	1.814 (4)
Au2—P2	2.2149 (9)	P2—C19	1.820 (3)
Au2—Cl2	2.2706 (9)	P2—C25	1.820 (3)
P1—C1	1.813 (3)	P2—C31	1.805 (4)

P1—Au1—Cl1	172.68 (3)	C1—P1—C13	102.88 (16)
P2—Au2—Cl2	176.54 (3)	Au2—P2—C19	107.23 (11)
Au1—P1—C1	115.02 (11)	Au2—P2—C25	115.35 (11)
Au1—P1—C7	109.85 (11)	Au2—P2—C31	115.83 (12)
Au1—P1—C13	113.45 (12)	C19—P2—C25	107.31 (16)
C1—P1—C7	106.31 (15)	C19—P2—C31	109.03 (16)
C7—P1—C13	108.83 (16)	C25—P2—C31	101.68 (16)

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Chloro­[tris­(per­fluoro­phenyl)­phosphine]­gold(I)

Supporting information

Key indicators

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Chloro[tris(perfluorophenyl)phosphine]gold(I)