Tris­(tri­phenyl­phosphine)copper(I) hexa­fluoro­phosphate

The title compound, [Cu(C₁₈H₁₅P)₃](PF₆), crystallizes as an ionic salt with no coordination between the [(PPh₃)₃Cu]⁺ cation and the [PF₆]^- anion. The three-coordinate Cu atoms lie in a distorted trigonal-planar environment.

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean [sigma](C-C) = 0.007 Å
• R factor = 0.053
• wR factor = 0.163
• Data-to-parameter ratio = 14.4

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

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S1. Comment

The structure of the title compound, (I), has been determined as part of an investigation into the structural properties of the adducts formed between the tris(triphenylphosphine)copper(I) cation and monovalent anions. The structure determination of (I) shows the complex to consist of discrete [(PPh₃)₃Cu]⁺ cations and [PF₆]⁻ anions, with the shortest Cu···F distance being 4.44 (2) Å (Fig. 1 and Table 1).

The lattice packing arrangement of the cations and anions are illustrated in Fig. 2. In the cation, steric congestion by the phenyl rings of the PPh₃ ligands results in a distorted trigonal-planar environment for the Cu, with P—Cu—P angles of 125.20 (4), 120.01 (4) and 113.28 (4)°, and a mean value of 120 (6)°. The Cu atom lies less than 0.2 Å out of the plane of the three P atoms. The Cu—P bond lengths of 2.277 (1), 2.286 (1) and 2.301 (1) Å [mean 2.288 (12) Å] are similar to those reported for the two other known ionic [(PPh₃)₃Cu]X salts with uncoordinated anions: X = FeCl₄ (Saturino & Arif, 1993) with Cu—P bond lengths of 2.303 (2), 2.294 (2) and 2.288 (2) Å [mean 2.295 (8) Å]; and X = V(CO)₆ (Doyle et al., 1985) with Cu—P bond lengths of 2.293 (1), 2.297 (1) and 2.296 (1) Å [mean 2.295 (2) Å]. These Cu—P bond lengths are shorter than those reported for four-coordinate complexes in which the anion is coordinated to the Cu atom. For example, with X = ClO₄ (Dyason et al., 1986), the Cu—P bond lengths are 2.314 (5), 2.313 (7) and 2.317 (8) Å [mean 2.315 (2) Å], with X = NO₃ (Dyason et al., 1986), the Cu—P bond lengths are 2.312 (2), 2.321 (2) and 2.338 (2) Å [mean 2.324 (13) Å], and with X = Cl (Gill et al., 1976), the Cu—P bond lengths are 2.348 (2), 2.351 (2) and 2.355 (2) Å [mean 2.351 (3) Å].

S2. Experimental

[Cu(PPh₃)₃(CH₃CN)]PF₆·CH₃CN (0.25 g), prepared by crystallization from an acetonitrile solution of a 3:1 stoichiometric ratio of PPh₃ and [Cu(CH₃CN)₄]PF₆ as described for the synthesis of the analogous perchlorate complex (Barron et al., 1985), was suspended in ethanol (20 ml). The resultant mixture was gently boiled for 30 min giving a clear solution. The hot solution was filtered and left to stand overnight, yielding crystalline hexagonal plates of (I) (m.p. 502–506 K). Analysis found: C 65.2, H 4.7%; calculated for C₅₄H₄₅CuF₆P₄F₆: C 65.2, H 4.6%.

S3. Refinement

H atoms were constrained as riding atoms, fixed to their parent C atoms at a C—H distance of 0.95 Å. U_iso(H) values were set to 1.2U_eq of the parent atom.

Computing details

Data collection: MSC/AFC7 Diffractometer Control for Windows (Molecular Structure Corporation, 1999); cell refinement: MSC/AFC7 Diffractometer Control for Windows; data reduction: TEXSAN for Windows (Molecular Structure Corporation, 1997-2001); program(s) used to solve structure: TEXSAN for Windows; program(s) used to refine structure: TEXSAN for Windows and SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Farrugia, 1997) and PLATON (Spek, 2001); software used to prepare material for publication: TEXSAN for Windows and PLATON.

Figures

	Fig. 1. ORTEP-3 (Farrugia, 1997) plot, showing the atomic numbering scheme for the cation of (I). Displacement ellipsoids are drawn at the 30% probability level for non-H atoms.
	Fig. 2. Unit-cell diagram for (I), projected down the a axis. The b axis is horizontal and the c axis is vertical.

tris(triphenylphosphine)copper(I) hexafluorophosphate

Crystal data

[Cu(C18H15P)3](PF6)	Z = 2
Mr = 995.33	F(000) = 1024
Triclinic, P1	Dx = 1.371 Mg m^−3
Hall symbol: -P 1	Melting point: 502 - 506 K K
a = 11.057 (2) Å	Mo Kα radiation, λ = 0.71069 Å
b = 12.1900 (18) Å	Cell parameters from 25 reflections
c = 18.790 (3) Å	θ = 12.8–15.3°
α = 88.4 (8)°	µ = 0.65 mm^−1
β = 100.633 (15)°	T = 295 K
γ = 104.349 (13)°	Plates, colorless
V = 2411.0 (10) Å^3	0.30 × 0.20 × 0.15 mm

Data collection

Rigaku AFC-7R diffractometer	Rint = 0.042
Radiation source: Rigaku rotating anode	θmax = 25.0°, θmin = 2.7°
Graphite monochromator	h = −13→6
ω–2θ scans	k = −14→14
9918 measured reflections	l = −21→22
8479 independent reflections	3 standard reflections every 150 reflections
6045 reflections with I > 2σ(I)	intensity decay: 1.2%

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.053	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.163	H-atom parameters constrained
S = 1.02	w = 1/[σ^2(Fo^2) + (0.0874P)^2 + 1.8564P] where P = (Fo^2 + 2Fc^2)/3
8479 reflections	(Δ/σ)max = 0.002
587 parameters	Δρmax = 0.72 e Å^−3
0 restraints	Δρmin = −0.56 e Å^−3

Special details

Experimental. The scan width was (1.58 + 0.30tanθ)° with an ω scan speed of 16° per minute (up to 4 scans to achieve I/σ(I) > 8). Stationary background counts were recorded at each end of the scan, and the scan time:background time ratio was 2:1.

Geometry. Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All e.s.d.'s are estimated from the variances of the (full) variance-covariance matrix. The cell e.s.d.'s are taken into account in the estimation of distances, angles and torsion angles

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 (Ų)

	x	y	z	Uiso*/Ueq
Cu	0.25828 (4)	0.71805 (4)	0.24656 (2)	0.0343 (2)
P1	0.10469 (9)	0.77613 (8)	0.16778 (5)	0.0358 (3)
P2	0.26898 (9)	0.70513 (8)	0.36909 (5)	0.0367 (3)
P3	0.38956 (9)	0.62613 (8)	0.20382 (5)	0.0343 (3)
C1	0.0525 (4)	0.8908 (3)	0.2027 (2)	0.0416 (12)
C2	0.1448 (5)	0.9858 (4)	0.2310 (3)	0.0570 (16)
C3	0.1103 (6)	1.0740 (4)	0.2594 (3)	0.074 (2)
C4	−0.0157 (7)	1.0676 (4)	0.2605 (4)	0.084 (3)
C5	−0.1074 (5)	0.9742 (4)	0.2330 (3)	0.070 (2)
C6	−0.0741 (5)	0.8857 (4)	0.2029 (3)	0.0551 (16)
C7	0.1400 (3)	0.8240 (3)	0.0795 (2)	0.0380 (11)
C8	0.1827 (4)	0.7539 (4)	0.0377 (2)	0.0485 (14)
C9	0.2121 (4)	0.7876 (5)	−0.0290 (2)	0.0583 (16)
C10	0.1991 (5)	0.8910 (5)	−0.0557 (3)	0.0658 (19)
C11	0.1575 (5)	0.9603 (4)	−0.0152 (3)	0.0654 (17)
C12	0.1279 (4)	0.9284 (4)	0.0519 (3)	0.0544 (17)
C13	−0.0379 (3)	0.6607 (3)	0.1477 (2)	0.0379 (11)
C14	−0.0795 (4)	0.5969 (4)	0.2056 (2)	0.0517 (14)
C15	−0.1853 (5)	0.5060 (4)	0.1931 (3)	0.0638 (19)
C16	−0.2479 (5)	0.4761 (4)	0.1238 (4)	0.0742 (19)
C17	−0.2083 (5)	0.5382 (5)	0.0667 (3)	0.078 (2)
C18	−0.1045 (4)	0.6298 (4)	0.0783 (2)	0.0575 (17)
C19	0.1485 (4)	0.7356 (3)	0.4146 (2)	0.0439 (12)
C20	0.1090 (4)	0.8338 (4)	0.3973 (2)	0.0508 (14)
C21	0.0273 (5)	0.8672 (4)	0.4347 (3)	0.0669 (19)
C22	−0.0168 (6)	0.8018 (6)	0.4896 (4)	0.082 (2)
C23	0.0185 (6)	0.7026 (6)	0.5066 (4)	0.087 (3)
C24	0.1014 (5)	0.6688 (4)	0.4686 (3)	0.0659 (17)
C25	0.4151 (4)	0.7855 (3)	0.4245 (2)	0.0404 (11)
C26	0.5148 (5)	0.8366 (4)	0.3902 (3)	0.0600 (17)
C27	0.6267 (5)	0.9004 (5)	0.4302 (4)	0.078 (2)
C28	0.6390 (5)	0.9151 (4)	0.5033 (3)	0.0729 (19)
C29	0.5410 (5)	0.8660 (4)	0.5382 (3)	0.0667 (17)
C30	0.4296 (4)	0.8022 (4)	0.4991 (2)	0.0528 (16)
C31	0.2600 (4)	0.5556 (3)	0.3863 (2)	0.0388 (12)
C32	0.1764 (4)	0.4790 (4)	0.3352 (2)	0.0500 (14)
C33	0.1690 (5)	0.3650 (4)	0.3409 (3)	0.0608 (16)
C34	0.2428 (5)	0.3246 (4)	0.3965 (3)	0.0578 (16)
C35	0.3237 (5)	0.3985 (4)	0.4487 (3)	0.0581 (17)
C36	0.3332 (4)	0.5134 (4)	0.4435 (2)	0.0490 (12)
C37	0.4590 (4)	0.7015 (3)	0.1303 (2)	0.0404 (12)
C38	0.4783 (4)	0.8188 (4)	0.1283 (3)	0.0517 (14)
C39	0.5294 (5)	0.8800 (4)	0.0731 (3)	0.0671 (19)
C40	0.5577 (5)	0.8238 (5)	0.0182 (3)	0.0725 (19)
C41	0.5391 (5)	0.7081 (5)	0.0198 (3)	0.073 (2)
C42	0.4912 (5)	0.6473 (4)	0.0752 (3)	0.0561 (16)
C43	0.3004 (3)	0.4869 (3)	0.16720 (19)	0.0353 (11)
C44	0.1700 (4)	0.4672 (3)	0.1484 (2)	0.0456 (12)
C45	0.0952 (4)	0.3627 (4)	0.1225 (3)	0.0583 (17)
C46	0.1497 (5)	0.2767 (4)	0.1150 (3)	0.0611 (16)
C47	0.2790 (5)	0.2926 (3)	0.1329 (3)	0.0566 (16)
C48	0.3559 (4)	0.3982 (3)	0.1588 (2)	0.0450 (12)
C49	0.5265 (4)	0.6014 (4)	0.2670 (2)	0.0419 (12)
C50	0.5161 (4)	0.5049 (4)	0.3087 (2)	0.0546 (16)
C51	0.6206 (6)	0.4892 (6)	0.3576 (3)	0.075 (2)
C52	0.7327 (5)	0.5705 (7)	0.3673 (3)	0.084 (2)
C53	0.7436 (5)	0.6678 (6)	0.3277 (3)	0.075 (2)
C54	0.6413 (4)	0.6825 (4)	0.2767 (3)	0.0597 (16)
P4	0.5792 (2)	1.14845 (15)	0.24303 (10)	0.0938 (8)
F1	0.6531 (8)	1.1768 (8)	0.3165 (4)	0.243 (5)
F2	0.4769 (9)	1.1031 (6)	0.1710 (3)	0.231 (5)
F3	0.5842 (7)	1.2649 (5)	0.2159 (5)	0.226 (4)
F4	0.5746 (15)	1.0277 (6)	0.2613 (5)	0.339 (7)
F5	0.6836 (10)	1.1403 (12)	0.2085 (5)	0.351 (8)
F6	0.4635 (6)	1.1525 (10)	0.2714 (4)	0.269 (6)
H2	0.23170	0.99020	0.23080	0.0680*
H3	0.17360	1.13950	0.27830	0.0890*
H4	−0.03870	1.12860	0.28040	0.1010*
H5	−0.19390	0.96970	0.23450	0.0840*
H6	−0.13810	0.82160	0.18240	0.0660*
H8	0.19180	0.68200	0.05540	0.0580*
H9	0.24140	0.73900	−0.05670	0.0700*
H10	0.21870	0.91390	−0.10180	0.0790*
H11	0.14900	1.03190	−0.03340	0.0790*
H12	0.09910	0.97800	0.07920	0.0660*
H14	−0.03510	0.61590	0.25360	0.0620*
H15	−0.21440	0.46440	0.23280	0.0770*
H16	−0.31880	0.41240	0.11540	0.0890*
H17	−0.25260	0.51780	0.01880	0.0940*
H18	−0.07830	0.67230	0.03820	0.0690*
H20	0.13860	0.87910	0.35910	0.0610*
H21	0.00160	0.93510	0.42240	0.0800*
H22	−0.07180	0.82520	0.51590	0.0980*
H23	−0.01330	0.65690	0.54400	0.1050*
H24	0.12510	0.59970	0.48010	0.0790*
H26	0.50650	0.82780	0.33920	0.0720*
H27	0.69560	0.93430	0.40670	0.0940*
H28	0.71600	0.95960	0.53000	0.0880*
H29	0.55020	0.87610	0.58900	0.0800*
H30	0.36140	0.76890	0.52330	0.0630*
H32	0.12420	0.50590	0.29610	0.0600*
H33	0.11160	0.31370	0.30570	0.0730*
H34	0.23860	0.24580	0.39930	0.0690*
H35	0.37320	0.37020	0.48840	0.0700*
H36	0.39000	0.56400	0.47930	0.0590*
H38	0.45590	0.85740	0.16530	0.0620*
H39	0.54500	0.96020	0.07310	0.0810*
H40	0.59000	0.86500	−0.02080	0.0870*
H41	0.55960	0.66980	−0.01790	0.0880*
H42	0.47980	0.56750	0.07590	0.0680*
H44	0.13080	0.52690	0.15340	0.0550*
H45	0.00560	0.35110	0.11000	0.0700*
H46	0.09810	0.20490	0.09710	0.0740*
H47	0.31650	0.23170	0.12770	0.0680*
H48	0.44550	0.40950	0.17070	0.0540*
H50	0.43750	0.44950	0.30370	0.0660*
H51	0.61420	0.42160	0.38460	0.0910*
H52	0.80330	0.55950	0.40150	0.1010*
H53	0.82100	0.72480	0.33550	0.0910*
H54	0.64990	0.74870	0.24820	0.0710*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cu	0.0354 (3)	0.0334 (3)	0.0341 (3)	0.0103 (2)	0.0034 (2)	−0.0024 (2)
P1	0.0364 (5)	0.0339 (5)	0.0377 (5)	0.0126 (4)	0.0030 (4)	0.0000 (4)
P2	0.0401 (5)	0.0372 (5)	0.0330 (5)	0.0106 (4)	0.0055 (4)	−0.0035 (4)
P3	0.0331 (5)	0.0344 (5)	0.0358 (5)	0.0086 (4)	0.0060 (4)	−0.0036 (4)
C1	0.052 (2)	0.034 (2)	0.042 (2)	0.0165 (18)	0.0089 (18)	0.0042 (16)
C2	0.065 (3)	0.042 (2)	0.063 (3)	0.014 (2)	0.008 (2)	−0.001 (2)
C3	0.097 (4)	0.036 (2)	0.088 (4)	0.009 (3)	0.023 (3)	−0.011 (2)
C4	0.127 (6)	0.046 (3)	0.100 (5)	0.041 (3)	0.044 (4)	−0.001 (3)
C5	0.081 (4)	0.055 (3)	0.095 (4)	0.039 (3)	0.038 (3)	0.009 (3)
C6	0.061 (3)	0.045 (2)	0.067 (3)	0.025 (2)	0.015 (2)	0.002 (2)
C7	0.0328 (19)	0.042 (2)	0.037 (2)	0.0105 (16)	−0.0001 (16)	0.0036 (16)
C8	0.050 (2)	0.055 (3)	0.042 (2)	0.017 (2)	0.0065 (19)	0.0008 (19)
C9	0.045 (2)	0.079 (3)	0.046 (3)	0.007 (2)	0.006 (2)	−0.009 (2)
C10	0.050 (3)	0.090 (4)	0.047 (3)	0.000 (3)	0.008 (2)	0.013 (3)
C11	0.065 (3)	0.060 (3)	0.067 (3)	0.009 (2)	0.014 (3)	0.028 (3)
C12	0.056 (3)	0.049 (3)	0.061 (3)	0.018 (2)	0.013 (2)	0.017 (2)
C13	0.0337 (19)	0.0340 (19)	0.047 (2)	0.0115 (16)	0.0050 (16)	−0.0020 (16)
C14	0.051 (2)	0.049 (2)	0.057 (3)	0.012 (2)	0.016 (2)	0.004 (2)
C15	0.065 (3)	0.049 (3)	0.079 (4)	0.004 (2)	0.031 (3)	0.003 (2)
C16	0.062 (3)	0.056 (3)	0.100 (4)	−0.005 (2)	0.027 (3)	−0.017 (3)
C17	0.053 (3)	0.089 (4)	0.076 (4)	−0.006 (3)	−0.002 (3)	−0.028 (3)
C18	0.051 (3)	0.063 (3)	0.050 (3)	0.004 (2)	0.001 (2)	−0.002 (2)
C19	0.041 (2)	0.047 (2)	0.044 (2)	0.0095 (18)	0.0087 (18)	−0.0102 (18)
C20	0.051 (2)	0.049 (2)	0.053 (3)	0.013 (2)	0.008 (2)	−0.012 (2)
C21	0.052 (3)	0.061 (3)	0.090 (4)	0.018 (2)	0.010 (3)	−0.020 (3)
C22	0.070 (4)	0.088 (4)	0.098 (4)	0.019 (3)	0.041 (3)	−0.020 (3)
C23	0.091 (4)	0.091 (4)	0.100 (5)	0.029 (4)	0.062 (4)	0.013 (4)
C24	0.070 (3)	0.070 (3)	0.069 (3)	0.022 (3)	0.036 (3)	0.006 (3)
C25	0.041 (2)	0.0336 (19)	0.046 (2)	0.0117 (16)	0.0019 (17)	−0.0060 (17)
C26	0.052 (3)	0.062 (3)	0.061 (3)	0.004 (2)	0.010 (2)	−0.010 (2)
C27	0.050 (3)	0.074 (4)	0.098 (5)	−0.007 (3)	0.009 (3)	−0.013 (3)
C28	0.061 (3)	0.050 (3)	0.093 (4)	0.009 (2)	−0.020 (3)	−0.020 (3)
C29	0.070 (3)	0.063 (3)	0.061 (3)	0.024 (3)	−0.017 (3)	−0.021 (2)
C30	0.061 (3)	0.056 (3)	0.039 (2)	0.016 (2)	0.000 (2)	−0.0038 (19)
C31	0.044 (2)	0.038 (2)	0.036 (2)	0.0097 (17)	0.0118 (17)	−0.0013 (16)
C32	0.059 (3)	0.047 (2)	0.040 (2)	0.011 (2)	0.001 (2)	−0.0022 (18)
C33	0.078 (3)	0.038 (2)	0.059 (3)	0.006 (2)	0.004 (3)	−0.007 (2)
C34	0.074 (3)	0.038 (2)	0.066 (3)	0.018 (2)	0.019 (3)	0.003 (2)
C35	0.065 (3)	0.053 (3)	0.059 (3)	0.022 (2)	0.010 (2)	0.013 (2)
C36	0.052 (2)	0.048 (2)	0.045 (2)	0.014 (2)	0.0018 (19)	0.0006 (19)
C37	0.035 (2)	0.043 (2)	0.042 (2)	0.0075 (17)	0.0066 (17)	−0.0019 (17)
C38	0.046 (2)	0.042 (2)	0.064 (3)	0.0003 (19)	0.016 (2)	−0.004 (2)
C39	0.067 (3)	0.047 (3)	0.078 (4)	−0.005 (2)	0.017 (3)	0.011 (2)
C40	0.073 (3)	0.073 (4)	0.065 (3)	−0.003 (3)	0.027 (3)	0.016 (3)
C41	0.079 (4)	0.083 (4)	0.059 (3)	0.006 (3)	0.034 (3)	−0.003 (3)
C42	0.070 (3)	0.047 (2)	0.056 (3)	0.009 (2)	0.031 (2)	0.000 (2)
C43	0.041 (2)	0.0321 (19)	0.0337 (19)	0.0098 (16)	0.0079 (16)	−0.0001 (15)
C44	0.044 (2)	0.040 (2)	0.050 (2)	0.0096 (18)	0.0016 (19)	−0.0068 (18)
C45	0.049 (3)	0.056 (3)	0.061 (3)	0.004 (2)	−0.002 (2)	−0.010 (2)
C46	0.075 (3)	0.040 (2)	0.057 (3)	−0.002 (2)	0.004 (2)	−0.008 (2)
C47	0.080 (3)	0.034 (2)	0.061 (3)	0.019 (2)	0.019 (3)	−0.003 (2)
C48	0.047 (2)	0.044 (2)	0.047 (2)	0.0136 (19)	0.0126 (19)	−0.0016 (18)
C49	0.035 (2)	0.055 (2)	0.038 (2)	0.0142 (18)	0.0071 (16)	−0.0074 (18)
C50	0.049 (3)	0.072 (3)	0.045 (2)	0.021 (2)	0.007 (2)	0.007 (2)
C51	0.074 (4)	0.113 (5)	0.045 (3)	0.042 (3)	0.003 (3)	0.016 (3)
C52	0.058 (3)	0.149 (6)	0.051 (3)	0.047 (4)	−0.007 (3)	0.000 (4)
C53	0.041 (3)	0.110 (5)	0.066 (3)	0.010 (3)	−0.004 (2)	−0.021 (3)
C54	0.039 (2)	0.073 (3)	0.061 (3)	0.006 (2)	0.002 (2)	−0.017 (2)
P4	0.1437 (17)	0.0780 (11)	0.0813 (11)	0.0582 (11)	0.0351 (12)	0.0123 (9)
F1	0.223 (8)	0.301 (10)	0.173 (6)	0.082 (7)	−0.086 (5)	−0.089 (6)
F2	0.368 (11)	0.217 (7)	0.126 (5)	0.164 (8)	−0.039 (6)	−0.039 (4)
F3	0.183 (6)	0.112 (4)	0.402 (11)	0.056 (4)	0.091 (7)	0.116 (6)
F4	0.62 (2)	0.102 (4)	0.232 (9)	0.108 (8)	−0.104 (11)	0.019 (5)
F5	0.361 (12)	0.596 (19)	0.293 (11)	0.394 (14)	0.210 (10)	0.174 (12)
F6	0.135 (5)	0.496 (16)	0.156 (6)	0.006 (7)	0.070 (5)	−0.004 (8)

Geometric parameters (Å, º)

Cu—P1	2.2773 (11)	C41—C42	1.371 (8)
Cu—P2	2.2865 (11)	C43—C44	1.381 (6)
Cu—P3	2.3009 (12)	C43—C48	1.395 (5)
P1—C1	1.819 (4)	C44—C45	1.381 (6)
P1—C7	1.821 (4)	C45—C46	1.355 (7)
P1—C13	1.822 (4)	C46—C47	1.372 (8)
P2—C19	1.824 (4)	C47—C48	1.399 (5)
P2—C25	1.818 (4)	C49—C50	1.388 (6)
P2—C31	1.824 (4)	C49—C54	1.387 (7)
P3—C37	1.820 (4)	C50—C51	1.387 (8)
P3—C43	1.820 (4)	C51—C52	1.367 (10)
P3—C49	1.826 (4)	C52—C53	1.374 (10)
P4—F3	1.486 (7)	C53—C54	1.386 (8)
P4—F4	1.493 (8)	C2—H2	0.9497
P4—F5	1.449 (12)	C3—H3	0.9490
P4—F6	1.486 (8)	C4—H4	0.9496
P4—F1	1.471 (8)	C5—H5	0.9500
P4—F2	1.607 (7)	C6—H6	0.9497
C1—C2	1.383 (6)	C8—H8	0.9508
C1—C6	1.386 (7)	C9—H9	0.9494
C2—C3	1.377 (8)	C10—H10	0.9492
C3—C4	1.380 (10)	C11—H11	0.9485
C4—C5	1.363 (8)	C12—H12	0.9503
C5—C6	1.388 (7)	C14—H14	0.9487
C7—C8	1.394 (6)	C15—H15	0.9506
C7—C12	1.389 (6)	C16—H16	0.9497
C8—C9	1.379 (6)	C17—H17	0.9494
C9—C10	1.374 (8)	C18—H18	0.9510
C10—C11	1.365 (8)	C20—H20	0.9499
C11—C12	1.382 (8)	C21—H21	0.9492
C13—C18	1.386 (5)	C22—H22	0.9488
C13—C14	1.400 (6)	C23—H23	0.9487
C14—C15	1.386 (7)	C24—H24	0.9504
C15—C16	1.370 (9)	C26—H26	0.9522
C16—C17	1.371 (9)	C27—H27	0.9508
C17—C18	1.378 (7)	C28—H28	0.9484
C19—C24	1.379 (7)	C29—H29	0.9493
C19—C20	1.384 (6)	C30—H30	0.9512
C20—C21	1.381 (7)	C32—H32	0.9509
C21—C22	1.373 (9)	C33—H33	0.9502
C22—C23	1.372 (10)	C34—H34	0.9506
C23—C24	1.402 (9)	C35—H35	0.9506
C25—C30	1.396 (5)	C36—H36	0.9501
C25—C26	1.385 (7)	C38—H38	0.9517
C26—C27	1.383 (8)	C39—H39	0.9497
C27—C28	1.367 (9)	C40—H40	0.9507
C28—C29	1.372 (8)	C41—H41	0.9494
C29—C30	1.373 (7)	C42—H42	0.9494
C31—C36	1.389 (6)	C44—H44	0.9495
C31—C32	1.394 (6)	C45—H45	0.9504
C32—C33	1.374 (7)	C46—H46	0.9502
C33—C34	1.362 (8)	C47—H47	0.9509
C34—C35	1.378 (7)	C48—H48	0.9502
C35—C36	1.380 (7)	C50—H50	0.9501
C37—C38	1.393 (6)	C51—H51	0.9500
C37—C42	1.388 (7)	C52—H52	0.9499
C38—C39	1.384 (7)	C53—H53	0.9494
C39—C40	1.377 (8)	C54—H54	0.9506
C40—C41	1.374 (8)
Cu···H2	3.4024	C44···H32	2.9818
Cu···H8	3.5481	C45···H18^vi	3.0264
Cu···H14	3.1997	C46···H18^vi	2.9327
Cu···H20	3.5537	C47···H41^xii	3.0044
Cu···H26	2.9832	C48···H42	2.7873
Cu···H32	2.8682	C48···H50	2.7435
Cu···H38	3.0394	C49···H48	2.8545
Cu···H44	2.8583	C50···H48	2.7671
P1···H44	3.1458	C52···H15^iv	3.0830
F3···C48^i	3.332 (9)	C54···H26	2.9679
F4···C26	3.353 (10)	H2···F6	2.8133
F2···H40^ii	2.8239	H2···Cu	3.4024
F2···H47^i	2.6532	H3···C33^i	3.0355
F3···H16^iii	2.7480	H3···C34^i	3.0670
F3···H48^i	2.6374	H3···H33^i	2.4814
F3···H15^iii	2.8411	H3···H34^i	2.5426
F4···H38	2.6965	H4···H33^i	2.4472
F4···H26	2.8188	H5···F5^vii	2.7374
F5···H10^ii	2.6173	H6···C13	2.6296
F5···H5^iv	2.7374	H6···C14	2.9701
F6···H2	2.8133	H8···C44	3.0911
F6···H29^v	2.6635	H8···C37	2.9836
C2···C12	3.418 (8)	H8···Cu	3.5481
C6···C14	3.505 (7)	H9···H16^vi	2.5690
C8···C18	3.377 (7)	H9···C16^vi	2.9634
C8···C37	3.422 (6)	H10···F5^ii	2.6173
C8···C38	3.309 (7)	H10···C5^ix	2.9962
C9···C39	3.597 (7)	H12···C2	2.8035
C9···C45^vi	3.589 (7)	H12···C1	2.6101
C11···C40^ii	3.577 (8)	H14···Cu	3.1997
C12···C2	3.418 (8)	H14···H32	2.4759
C14···C6	3.505 (7)	H15···F3^xiii	2.8411
C14···C53^vii	3.527 (7)	H15···C52^vii	3.0830
C15···C53^vii	3.562 (8)	H16···H9^vi	2.5690
C18···C8	3.377 (7)	H16···F3^xiii	2.7480
C24···C30	3.536 (7)	H18···C45^vi	3.0264
C26···C54	3.558 (7)	H18···C8	2.8115
C26···F4	3.353 (10)	H18···C7	2.6504
C30···C24	3.536 (7)	H18···C46^vi	2.9327
C30···C36	3.543 (7)	H20···C2	2.7078
C32···C44	3.504 (5)	H20···Cu	3.5537
C36···C50	3.539 (6)	H20···C1	2.9282
C36···C30	3.543 (7)	H20···C3	3.0258
C37···C8	3.422 (6)	H22···C34^xi	2.9813
C38···C8	3.309 (7)	H23···C33^xi	2.9709
C39···C9	3.597 (7)	H23···C34^xi	3.0141
C40···C11^ii	3.577 (8)	H24···C36	2.9493
C42···C48	3.504 (6)	H24···C31	2.6534
C44···C32	3.504 (5)	H26···C54	2.9679
C45···C9^vi	3.589 (7)	H26···F4	2.8188
C48···C42	3.504 (6)	H26···Cu	2.9832
C48···C50	3.160 (5)	H28···C20^v	2.9587
C48···F3^viii	3.332 (9)	H28···C21^v	3.0605
C50···C48	3.160 (5)	H29···F6^v	2.6635
C50···C36	3.539 (6)	H30···C19	2.7706
C53···C14^iv	3.527 (7)	H30···C24	2.8374
C53···C15^iv	3.562 (8)	H32···Cu	2.8682
C54···C26	3.558 (7)	H32···C14	2.9858
C1···H12	2.6101	H32···H14	2.4759
C1···H20	2.9282	H32···C44	2.9818
C2···H12	2.8035	H33···C4^viii	3.0513
C2···H20	2.7078	H33···C3^viii	3.0678
C3···H33^i	3.0678	H33···H4^viii	2.4472
C3···H20	3.0258	H33···H3^viii	2.4814
C4···H33^i	3.0513	H34···H3^viii	2.5426
C5···H10^ix	2.9962	H34···C28^x	3.0380
C7···H18	2.6504	H35···H36^x	2.5034
C8···H18	2.8115	H36···H35^x	2.5034
C9···H45^vi	2.7828	H36···C30	2.8516
C10···H39^ii	3.0278	H36···C25	2.8296
C11···H40^ii	3.0371	H36···H51^x	2.5779
C13···H6	2.6296	H38···Cu	3.0394
C13···H44	2.7524	H38···F4	2.6965
C14···H44	2.9948	H39···C10^ii	3.0278
C14···H6	2.9701	H40···C11^ii	3.0371
C14···H32	2.9858	H40···F2^ii	2.8239
C16···H9^vi	2.9634	H41···C47^xii	3.0044
C19···H30	2.7706	H42···C43	2.8353
C20···H28^v	2.9587	H42···C48	2.7873
C21···H53^vii	2.8879	H42···H48	2.5927
C21···H28^v	3.0605	H44···C14	2.9948
C23···H52^vii	3.0009	H44···C13	2.7524
C24···H30	2.8374	H44···Cu	2.8583
C25···H36	2.8296	H44···P1	3.1458
C28···H34^x	3.0380	H45···C9^vi	2.7828
C30···H36	2.8516	H47···F2^viii	2.6532
C31···H24	2.6534	H48···C49	2.8545
C33···H3^viii	3.0355	H48···C50	2.7671
C33···H23^xi	2.9709	H48···F3^viii	2.6374
C33···H50	3.0941	H48···H50	2.5811
C34···H50	3.0993	H48···H42	2.5927
C34···H23^xi	3.0141	H50···C34	3.0993
C34···H22^xi	2.9813	H50···C33	3.0941
C34···H3^viii	3.0670	H50···C48	2.7435
C36···H24	2.9493	H50···H48	2.5811
C37···H54	2.7272	H50···C43	2.8154
C37···H8	2.9836	H51···H36^x	2.5779
C38···H54	2.9197	H52···C23^iv	3.0009
C43···H42	2.8353	H53···C21^iv	2.8879
C43···H50	2.8154	H54···C38	2.9197
C44···H8	3.0911	H54···C37	2.7272
P1—Cu—P2	125.2 (8)	C43—C48—C47	119.7 (9)
P1—Cu—P3	120.0 (8)	P3—C49—C50	121.0 (9)
P2—Cu—P3	113.3 (8)	P3—C49—C54	120.0 (9)
Cu—P1—C1	114.1 (8)	C50—C49—C54	119.0 (9)
Cu—P1—C7	117.5 (8)	C49—C50—C51	120.0 (9)
Cu—P1—C13	110.1 (8)	C50—C51—C52	120.4 (10)
C1—P1—C7	104.5 (8)	C51—C52—C53	120.3 (10)
C1—P1—C13	104.9 (8)	C52—C53—C54	119.8 (10)
C7—P1—C13	104.7 (8)	C49—C54—C53	120.5 (9)
Cu—P2—C19	122.8 (8)	C3—C2—H2	120.10
Cu—P2—C25	115.9 (8)	C1—C2—H2	120.08
Cu—P2—C31	103.7 (8)	C2—C3—H3	119.75
C19—P2—C25	102.0 (8)	C4—C3—H3	119.89
C19—P2—C31	104.0 (8)	C5—C4—H4	119.82
C25—P2—C31	107.1 (8)	C3—C4—H4	119.87
Cu—P3—C37	112.2 (8)	C4—C5—H5	120.02
Cu—P3—C43	110.4 (8)	C6—C5—H5	120.10
Cu—P3—C49	118.2 (8)	C5—C6—H6	119.97
C37—P3—C43	106.2 (8)	C1—C6—H6	119.95
C37—P3—C49	103.6 (8)	C9—C8—H8	119.53
C43—P3—C49	105.3 (8)	C7—C8—H8	119.66
F3—P4—F6	88.1 (10)	C8—C9—H9	119.77
F4—P4—F5	83.9 (11)	C10—C9—H9	119.79
F4—P4—F6	95.8 (11)	C9—C10—H10	120.40
F5—P4—F6	174.2 (10)	C11—C10—H10	120.38
F1—P4—F2	168.5 (9)	C10—C11—H11	119.34
F1—P4—F3	99.1 (9)	C12—C11—H11	119.35
F1—P4—F4	86.5 (10)	C7—C12—H12	119.92
F1—P4—F5	97.3 (10)	C11—C12—H12	119.92
F1—P4—F6	88.4 (9)	C13—C14—H14	119.88
F2—P4—F3	87.4 (9)	C15—C14—H14	119.83
F2—P4—F4	87.7 (9)	C14—C15—H15	119.80
F2—P4—F5	91.9 (10)	C16—C15—H15	120.00
F2—P4—F6	82.3 (9)	C15—C16—H16	119.90
F3—P4—F4	173.2 (10)	C17—C16—H16	120.10
F3—P4—F5	91.6 (10)	C16—C17—H17	119.76
P1—C1—C2	117.6 (9)	C18—C17—H17	119.75
P1—C1—C6	122.9 (9)	C13—C18—H18	119.66
C2—C1—C6	119.5 (9)	C17—C18—H18	119.58
C1—C2—C3	119.8 (10)	C21—C20—H20	119.40
C2—C3—C4	120.4 (9)	C19—C20—H20	119.49
C3—C4—C5	120.3 (10)	C22—C21—H21	120.10
C4—C5—C6	119.9 (10)	C20—C21—H21	120.08
C1—C6—C5	120.1 (9)	C23—C22—H22	119.86
C8—C7—C12	118.0 (9)	C21—C22—H22	119.97
P1—C7—C8	119.0 (8)	C22—C23—H23	119.99
P1—C7—C12	123.0 (9)	C24—C23—H23	120.06
C7—C8—C9	120.8 (9)	C23—C24—H24	119.86
C8—C9—C10	120.4 (9)	C19—C24—H24	120.02
C9—C10—C11	119.2 (9)	C25—C26—H26	120.15
C10—C11—C12	121.3 (9)	C27—C26—H26	119.98
C7—C12—C11	120.2 (9)	C28—C27—H27	119.74
C14—C13—C18	118.2 (9)	C26—C27—H27	119.76
P1—C13—C14	117.9 (9)	C27—C28—H28	119.62
P1—C13—C18	123.8 (9)	C29—C28—H28	119.85
C13—C14—C15	120.3 (9)	C28—C29—H29	120.20
C14—C15—C16	120.2 (9)	C30—C29—H29	120.31
C15—C16—C17	120.0 (9)	C25—C30—H30	119.62
C16—C17—C18	120.5 (9)	C29—C30—H30	119.39
C13—C18—C17	120.8 (9)	C31—C32—H32	119.72
P2—C19—C20	118.3 (9)	C33—C32—H32	119.81
P2—C19—C24	122.7 (9)	C32—C33—H33	119.62
C20—C19—C24	118.8 (9)	C34—C33—H33	119.59
C19—C20—C21	121.1 (9)	C33—C34—H34	120.18
C20—C21—C22	119.8 (9)	C35—C34—H34	120.11
C21—C22—C23	120.2 (10)	C34—C35—H35	119.84
C22—C23—C24	119.9 (10)	C36—C35—H35	119.90
C19—C24—C23	120.1 (9)	C31—C36—H36	119.72
P2—C25—C26	118.0 (9)	C35—C36—H36	119.86
P2—C25—C30	123.3 (9)	C39—C38—H38	119.53
C26—C25—C30	118.6 (9)	C37—C38—H38	119.61
C25—C26—C27	119.9 (10)	C38—C39—H39	120.28
C26—C27—C28	120.5 (10)	C40—C39—H39	120.19
C27—C28—C29	120.5 (10)	C41—C40—H40	120.03
C28—C29—C30	119.5 (9)	C39—C40—H40	120.03
C25—C30—C29	121.0 (9)	C40—C41—H41	119.65
P2—C31—C32	116.2 (9)	C42—C41—H41	119.59
P2—C31—C36	125.5 (9)	C37—C42—H42	119.67
C32—C31—C36	118.3 (9)	C41—C42—H42	119.84
C31—C32—C33	120.5 (9)	C45—C44—H44	119.20
C32—C33—C34	120.8 (9)	C43—C44—H44	119.23
C33—C34—C35	119.7 (9)	C46—C45—H45	120.03
C34—C35—C36	120.3 (9)	C44—C45—H45	120.06
C31—C36—C35	120.4 (9)	C45—C46—H46	119.79
P3—C37—C38	118.6 (9)	C47—C46—H46	119.74
P3—C37—C42	123.0 (9)	C46—C47—H47	119.96
C38—C37—C42	118.4 (9)	C48—C47—H47	119.85
C37—C38—C39	120.9 (9)	C43—C48—H48	120.10
C38—C39—C40	119.5 (9)	C47—C48—H48	120.24
C39—C40—C41	119.9 (10)	C49—C50—H50	120.04
C40—C41—C42	120.8 (10)	C51—C50—H50	119.98
C37—C42—C41	120.5 (9)	C50—C51—H51	119.79
P3—C43—C44	118.0 (8)	C52—C51—H51	119.78
P3—C43—C48	123.8 (8)	C51—C52—H52	119.78
C44—C43—C48	118.2 (9)	C53—C52—H52	119.95
C43—C44—C45	121.6 (9)	C52—C53—H53	119.91
C44—C45—C46	119.9 (9)	C54—C53—H53	120.26
C45—C46—C47	120.5 (9)	C49—C54—H54	119.79
C46—C47—C48	120.2 (9)	C53—C54—H54	119.71
P2—Cu—P1—C1	37.7 (8)	P1—C1—C2—C3	−178.7 (9)
P2—Cu—P1—C7	160.4 (8)	C6—C1—C2—C3	0.3 (11)
P2—Cu—P1—C13	−79.9 (8)	P1—C1—C6—C5	177.4 (9)
P3—Cu—P1—C1	−157.3 (8)	C2—C1—C6—C5	−1.6 (11)
P3—Cu—P1—C7	−34.6 (8)	C1—C2—C3—C4	0.7 (11)
P3—Cu—P1—C13	85.1 (8)	C2—C3—C4—C5	−0.5 (12)
P1—Cu—P2—C19	2.6 (8)	C3—C4—C5—C6	−0.8 (12)
P1—Cu—P2—C25	−123.3 (8)	C4—C5—C6—C1	1.9 (11)
P1—Cu—P2—C31	119.6 (8)	P1—C7—C8—C9	−179.1 (9)
P3—Cu—P2—C19	−163.2 (8)	C12—C7—C8—C9	0.1 (10)
P3—Cu—P2—C25	70.8 (8)	P1—C7—C12—C11	179.3 (9)
P3—Cu—P2—C31	−46.3 (8)	C8—C7—C12—C11	0.1 (10)
P1—Cu—P3—C37	49.9 (8)	C7—C8—C9—C10	−0.4 (11)
P1—Cu—P3—C43	−68.3 (8)	C8—C9—C10—C11	0.4 (11)
P1—Cu—P3—C49	170.4 (8)	C9—C10—C11—C12	−0.2 (12)
P2—Cu—P3—C37	−143.4 (8)	C10—C11—C12—C7	−0.1 (11)
P2—Cu—P3—C43	98.4 (8)	P1—C13—C14—C15	−178.1 (9)
P2—Cu—P3—C49	−22.9 (8)	C18—C13—C14—C15	−0.5 (10)
Cu—P1—C1—C2	51.7 (9)	P1—C13—C18—C17	176.9 (9)
Cu—P1—C1—C6	−127.4 (9)	C14—C13—C18—C17	−0.5 (10)
C7—P1—C1—C2	−77.9 (9)	C13—C14—C15—C16	1.7 (11)
C7—P1—C1—C6	103.1 (9)	C14—C15—C16—C17	−2.0 (11)
C13—P1—C1—C2	172.2 (9)	C15—C16—C17—C18	1.0 (12)
C13—P1—C1—C6	−6.8 (9)	C16—C17—C18—C13	0.2 (11)
Cu—P1—C7—C8	52.7 (9)	P2—C19—C20—C21	−173.7 (9)
Cu—P1—C7—C12	−126.5 (9)	C24—C19—C20—C21	2.2 (10)
C1—P1—C7—C8	−179.8 (9)	P2—C19—C24—C23	173.6 (9)
C1—P1—C7—C12	1.1 (9)	C20—C19—C24—C23	−2.2 (11)
C13—P1—C7—C8	−69.8 (9)	C19—C20—C21—C22	−0.6 (11)
C13—P1—C7—C12	111.0 (9)	C20—C21—C22—C23	−1.0 (12)
Cu—P1—C13—C14	45.0 (9)	C21—C22—C23—C24	1.0 (13)
Cu—P1—C13—C18	−132.4 (9)	C22—C23—C24—C19	0.6 (12)
C1—P1—C13—C14	−78.2 (9)	P2—C25—C26—C27	178.7 (9)
C1—P1—C13—C18	104.4 (9)	C30—C25—C26—C27	1.5 (11)
C7—P1—C13—C14	172.1 (9)	P2—C25—C30—C29	−178.4 (9)
C7—P1—C13—C18	−5.3 (9)	C26—C25—C30—C29	−1.3 (10)
Cu—P2—C19—C20	−47.5 (9)	C25—C26—C27—C28	−1.1 (11)
Cu—P2—C19—C24	136.8 (9)	C26—C27—C28—C29	0.6 (12)
C25—P2—C19—C20	84.4 (9)	C27—C28—C29—C30	−0.4 (11)
C25—P2—C19—C24	−91.3 (9)	C28—C29—C30—C25	0.7 (11)
C31—P2—C19—C20	−164.3 (9)	P2—C31—C32—C33	175.8 (9)
C31—P2—C19—C24	20.0 (9)	C36—C31—C32—C33	−1.3 (10)
Cu—P2—C25—C26	−8.0 (9)	P2—C31—C36—C35	−176.0 (9)
Cu—P2—C25—C30	169.1 (9)	C32—C31—C36—C35	0.7 (10)
C19—P2—C25—C26	−143.9 (9)	C31—C32—C33—C34	0.1 (11)
C19—P2—C25—C30	33.2 (9)	C32—C33—C34—C35	1.6 (12)
C31—P2—C25—C26	107.2 (9)	C33—C34—C35—C36	−2.1 (12)
C31—P2—C25—C30	−75.7 (9)	C34—C35—C36—C31	1.0 (11)
Cu—P2—C31—C32	−39.1 (9)	P3—C37—C38—C39	−179.2 (9)
Cu—P2—C31—C36	137.6 (9)	C42—C37—C38—C39	−0.6 (11)
C19—P2—C31—C32	90.3 (9)	P3—C37—C42—C41	177.7 (9)
C19—P2—C31—C36	−93.0 (9)	C38—C37—C42—C41	−0.9 (11)
C25—P2—C31—C32	−162.2 (9)	C37—C38—C39—C40	2.1 (11)
C25—P2—C31—C36	14.6 (9)	C38—C39—C40—C41	−2.2 (12)
Cu—P3—C37—C38	28.7 (9)	C39—C40—C41—C42	0.7 (12)
Cu—P3—C37—C42	−149.9 (9)	C40—C41—C42—C37	0.8 (12)
C43—P3—C37—C38	149.4 (9)	P3—C43—C44—C45	−177.8 (9)
C43—P3—C37—C42	−29.2 (9)	C48—C43—C44—C45	0.6 (10)
C49—P3—C37—C38	−100.0 (9)	P3—C43—C48—C47	177.4 (9)
C49—P3—C37—C42	81.5 (9)	C44—C43—C48—C47	−0.9 (10)
Cu—P3—C43—C44	19.6 (9)	C43—C44—C45—C46	−0.1 (11)
Cu—P3—C43—C48	−158.7 (8)	C44—C45—C46—C47	−0.1 (11)
C37—P3—C43—C44	−102.3 (9)	C45—C46—C47—C48	−0.3 (11)
C37—P3—C43—C48	79.4 (9)	C46—C47—C48—C43	0.8 (11)
C49—P3—C43—C44	148.2 (9)	P3—C49—C50—C51	−178.4 (9)
C49—P3—C43—C48	−30.1 (9)	C54—C49—C50—C51	−1.9 (11)
Cu—P3—C49—C50	87.9 (9)	P3—C49—C54—C53	176.0 (9)
Cu—P3—C49—C54	−88.6 (9)	C50—C49—C54—C53	−0.6 (11)
C37—P3—C49—C50	−147.3 (9)	C49—C50—C51—C52	2.8 (11)
C37—P3—C49—C54	36.2 (9)	C50—C51—C52—C53	−1.2 (12)
C43—P3—C49—C50	−35.9 (9)	C51—C52—C53—C54	−1.3 (12)
C43—P3—C49—C54	147.5 (9)	C52—C53—C54—C49	2.2 (12)

Symmetry codes: (i) x, y+1, z; (ii) −x+1, −y+2, −z; (iii) x+1, y+1, z; (iv) x+1, y, z; (v) −x+1, −y+2, −z+1; (vi) −x, −y+1, −z; (vii) x−1, y, z; (viii) x, y−1, z; (ix) −x, −y+2, −z; (x) −x+1, −y+1, −z+1; (xi) −x, −y+1, −z+1; (xii) −x+1, −y+1, −z; (xiii) x−1, y−1, z.