Crystal structure of the coordination polymer catena-poly[[[(acetonitrile-κN)copper(I)]-μ3-1,3-dithiolane-κ3S:S:S′] hexafluoridophosphate]

Knauer, L.; Knorr, M.; Viau, L.; Strohmann, C.

doi:10.1107/S205698901901627X

Crystal structure of the coordination polymer catena-poly[[[(acetonitrile-κN)copper(I)]-μ₃-1,3-dithiolane-κ³S:S:S′] hexafluoridophosphate]

L. Knauer, M. Knorr, L. Viau and C. Strohmann

The title one-dimensional ribbon-like coordination polymer results from the reaction of [Cu(MeCN)₄][PF₆] with 1,3-dithiolane.

Keywords: crystal structure; copper complex; coordination polymer; thioether; C—H

F hydrogen bonding.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S205698901901627X/su5530sup1.cif Contains datablocks Global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S205698901901627X/su5530Isup2.hkl Contains datablock I
	Chemdraw file https://doi.org/10.1107/S205698901901627X/su5530Isup3.cdx Supplementary material

CCDC reference: 1969688

checkCIF report

Key indicators

Single-crystal X-ray study
T = 105 K
Mean (C-C) = 0.007 Å
R factor = 0.034
wR factor = 0.080
Data-to-parameter ratio = 27.7

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT925_ALERT_1_A The Reported and Calculated Rho(max) Differ by .       5.65 eA-3
PLAT927_ALERT_1_A Reported and Calculated  wR2 Differ by .........    -0.0545 Check
PLAT971_ALERT_2_A Check Calcd Resid. Dens.  0.03A   From S4              3.83 eA-3
PLAT971_ALERT_2_A Check Calcd Resid. Dens.  0.13A   From S2              3.59 eA-3
PLAT973_ALERT_2_A Check Calcd Positive Resid. Density on       Cu1       6.57 eA-3
PLAT973_ALERT_2_A Check Calcd Positive Resid. Density on       Cu2       6.53 eA-3

Alert level B
PLAT920_ALERT_1_B Theta(Max)  in CIF and FCF Differ by ...........       2.61 Degree
PLAT926_ALERT_1_B Reported and Calculated   R1 Differ by .........    -0.0318 Check
PLAT928_ALERT_1_B Reported and Calculated    S value   Differ by .     -0.757 Check
PLAT971_ALERT_2_B Check Calcd Resid. Dens.  0.28A   From S1              3.21 eA-3
PLAT971_ALERT_2_B Check Calcd Resid. Dens.  0.02A   From S3              3.15 eA-3
PLAT971_ALERT_2_B Check Calcd Resid. Dens.  0.11A   From P2              2.71 eA-3
PLAT971_ALERT_2_B Check Calcd Resid. Dens.  0.11A   From P1              2.62 eA-3

Alert level C
PLAT220_ALERT_2_C NonSolvent Resd 1  C   Ueq(max) / Ueq(min) Range        4.6 Ratio
PLAT222_ALERT_3_C NonSolvent Resd 1  H   Uiso(max)/Uiso(min) Range        5.8 Ratio
PLAT244_ALERT_4_C Low    'Solvent' Ueq as Compared to Neighbors of         P1 Check
PLAT244_ALERT_4_C Low    'Solvent' Ueq as Compared to Neighbors of         P2 Check
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....        2.6 Note
PLAT341_ALERT_3_C Low Bond Precision on  C-C Bonds ...............    0.00675 Ang.
PLAT911_ALERT_3_C Missing FCF Refl Between Thmin & STh/L=    0.600          2 Report
PLAT915_ALERT_3_C No Flack x Check Done: Low Friedel Pair Coverage         80 %
PLAT922_ALERT_1_C wR2 in the CIF and FCF Differ by ...............     0.0027 Check
PLAT978_ALERT_2_C Number C-C Bonds with Positive Residual Density.          0 Info

Alert level G
PLAT004_ALERT_5_G Polymeric Structure Found with Maximum Dimension          1 Info
PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings  Differ     Please Check
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Cu1      --S2_b     .        5.0 s.u.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Cu1      --S4_b     .        5.2 s.u.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Cu2      --S2       .        8.5 s.u.
PLAT792_ALERT_1_G Model has Chirality at S2          (Polar  SPGR)          S Verify
PLAT792_ALERT_1_G Model has Chirality at S4          (Polar  SPGR)          S Verify
PLAT910_ALERT_3_G Missing # of FCF Reflection(s) Below Theta(Min).          1 Note
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600         12 Note
PLAT913_ALERT_3_G Missing # of Very Strong Reflections in FCF ....          1 Note
PLAT933_ALERT_2_G Number of OMIT Records in Embedded .res File ...          3 Note
PLAT953_ALERT_1_G Reported (CIF) and Actual (FCF) Hmax Differ by .          1 Units
PLAT954_ALERT_1_G Reported (CIF) and Actual (FCF) Kmax Differ by .          1 Units
PLAT955_ALERT_1_G Reported (CIF) and Actual (FCF) Lmax Differ by .          2 Units
PLAT956_ALERT_1_G Calculated (ThMax) and Actual (FCF) Hmax Differ           2 Units
PLAT958_ALERT_1_G Calculated (ThMax) and Actual (FCF) Lmax Differ           2 Units
PLAT961_ALERT_5_G Dataset Contains no Negative Intensities .......     Please Check

   6 ALERT level A = Most likely a serious problem - resolve or explain
   7 ALERT level B = A potentially serious problem, consider carefully
  10 ALERT level C = Check. Ensure it is not caused by an omission or oversight
  17 ALERT level G = General information/check it is not something unexpected

  14 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  15 ALERT type 2 Indicator that the structure model may be wrong or deficient
   6 ALERT type 3 Indicator that the structure quality may be low
   3 ALERT type 4 Improvement, methodology, query or suggestion
   2 ALERT type 5 Informative message, check

Computing details top

Data collection: APEX2 (Bruker, 2016); cell refinement: SAINT (Bruker, 2016); data reduction: SAINT (Bruker, 2016); program(s) used to solve structure: ShelXT (Sheldrick, 2015a); program(s) used to refine structure: SHELXL (Sheldrick, 2015b); molecular graphics: OLEX2 (Dolomanov et al., 2009) and Mercury (Macrae et al., 2008); software used to prepare material for publication: OLEX2(Dolomanov et al., 2009), PLATON (Spek, 2009) and publCIF (Westrip, 2010).

catena-Poly[[[(acetonitrile-κN)copper(I)]-µ₃-1,3-dithiolane-κ³S:S:S'] hexafluoridophosphate] top

Crystal data top

[Cu₂(C₂H₃N)₂(C₃H₆S₂)₂](PF₆)₂	D_x = 2.019 Mg m⁻³
M_r = 711.52	Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, Pna2₁	Cell parameters from 9565 reflections
a = 11.8409 (9) Å	θ = 2.7–31.8°
b = 12.9273 (9) Å	µ = 2.41 mm⁻¹
c = 15.2921 (11) Å	T = 105 K
V = 2340.8 (3) Å³	Block, colourless
Z = 4	0.33 × 0.32 × 0.27 mm
F(000) = 1408

Data collection top

Bruker D8 VENTURE area detector diffractometer	8122 independent reflections
Radiation source: microfocus sealed X-ray tube, Incoatec Iµs	7092 reflections with I > 2σ(I)
HELIOS mirror optics monochromator	R_int = 0.040
Detector resolution: 10.4167 pixels mm^-1	θ_max = 33.1°, θ_min = 2.3°
ω and φ scans	h = −17→17
Absorption correction: multi-scan (TWINABS; Bruker, 2016)	k = −19→18
T_min = 0.608, T_max = 0.746	l = −21→23
40393 measured reflections

Refinement top

Refinement on F²	Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full	H-atom parameters constrained
R[F² > 2σ(F²)] = 0.034	w = 1/[σ²(F_o²) + (0.0388P)² + 1.7169P] where P = (F_o² + 2F_c²)/3
wR(F²) = 0.080	(Δ/σ)_max = 0.001
S = 1.03	Δρ_max = 0.93 e Å⁻³
8122 reflections	Δρ_min = −0.73 e Å⁻³
293 parameters	Extinction correction: (SHELXL-2018/3; Sheldrick, 2015b), Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
1 restraint	Extinction coefficient: 0.0012 (3)
Primary atom site location: dual	Absolute structure: Refined as an inversion twin.
Secondary atom site location: difference Fourier map	Absolute structure parameter: 0.115 (11)

Special details top

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

Refinement. Refined as a two-component inversion twin

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
Cu1	0.84315 (3)	0.78973 (3)	0.57850 (3)	0.01740 (10)
Cu2	0.59217 (4)	0.80128 (3)	0.43586 (3)	0.01907 (10)
S1	0.73437 (7)	0.71169 (7)	0.68074 (6)	0.01758 (17)
S2	0.53256 (7)	0.75921 (6)	0.57705 (6)	0.01552 (15)
S3	0.47858 (7)	0.74560 (8)	0.32430 (7)	0.02113 (18)
S4	0.28017 (7)	0.75139 (6)	0.43792 (6)	0.01688 (16)
N1	0.8599 (3)	0.9416 (2)	0.5802 (3)	0.0218 (6)
N2	0.6146 (3)	0.9531 (3)	0.4352 (3)	0.0271 (7)
C1	0.6181 (3)	0.6541 (3)	0.6216 (3)	0.0176 (6)
H1A	0.572111	0.610665	0.661277	0.021*
H1B	0.646981	0.609859	0.573648	0.021*
C2	0.6454 (3)	0.8120 (3)	0.7273 (3)	0.0216 (7)
H2A	0.595280	0.781936	0.772430	0.026*
H2B	0.692894	0.865649	0.755319	0.026*
C3	0.5748 (3)	0.8604 (3)	0.6548 (3)	0.0229 (8)
H3A	0.619383	0.914115	0.624196	0.027*
H3B	0.506878	0.893506	0.680033	0.027*
C4	0.8973 (3)	1.0220 (3)	0.5899 (3)	0.0233 (7)
C5	0.9471 (4)	1.1236 (3)	0.6047 (3)	0.0337 (10)
H5A	1.026569	1.122572	0.586966	0.051*
H5B	0.941772	1.141126	0.666932	0.051*
H5C	0.906273	1.175400	0.570202	0.051*
C6	0.6404 (4)	1.0373 (4)	0.4332 (4)	0.0384 (10)
C7	0.6757 (8)	1.1462 (5)	0.4299 (6)	0.081 (3)
H7A	0.631809	1.182650	0.385163	0.122*
H7B	0.756221	1.150048	0.415362	0.122*
H7C	0.662709	1.178524	0.486982	0.122*
C8	0.3636 (3)	0.6684 (3)	0.3662 (3)	0.0212 (7)
H8A	0.393246	0.608356	0.399149	0.025*
H8B	0.316389	0.642406	0.317440	0.025*
C9	0.3864 (3)	0.8562 (3)	0.3071 (3)	0.0250 (8)
H9A	0.431480	0.917698	0.290743	0.030*
H9B	0.332220	0.841488	0.259437	0.030*
C10	0.3233 (3)	0.8761 (3)	0.3924 (3)	0.0241 (8)
H10A	0.256090	0.919716	0.381185	0.029*
H10B	0.372927	0.912903	0.434195	0.029*
P1	0.83561 (9)	0.41114 (8)	0.64167 (8)	0.0243 (2)
F1	0.8514 (2)	0.5141 (2)	0.5834 (2)	0.0352 (6)
F2	0.8195 (2)	0.3098 (2)	0.7025 (2)	0.0381 (7)
F3	0.9652 (2)	0.3807 (2)	0.6263 (2)	0.0400 (6)
F4	0.8733 (3)	0.4757 (2)	0.72667 (18)	0.0373 (6)
F5	0.7068 (2)	0.4413 (2)	0.6591 (3)	0.0478 (8)
F6	0.8011 (3)	0.3459 (3)	0.5585 (2)	0.0564 (10)
P2	0.56386 (9)	0.42170 (8)	0.34899 (7)	0.0242 (2)
F7	0.6297 (4)	0.5004 (3)	0.2875 (2)	0.0639 (11)
F8	0.4947 (4)	0.3435 (3)	0.4073 (2)	0.0765 (14)
F9	0.5737 (2)	0.3338 (2)	0.27453 (18)	0.0295 (5)
F10	0.6798 (2)	0.3850 (2)	0.3895 (2)	0.0402 (7)
F11	0.5557 (2)	0.5097 (2)	0.4233 (2)	0.0394 (7)
F12	0.4494 (3)	0.4601 (3)	0.3056 (3)	0.0836 (17)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Cu1	0.01103 (17)	0.02016 (19)	0.0210 (2)	−0.00064 (14)	0.00107 (16)	−0.00060 (19)
Cu2	0.01171 (18)	0.0229 (2)	0.0226 (2)	−0.00045 (15)	0.00019 (17)	0.00155 (19)
S1	0.0107 (3)	0.0221 (4)	0.0200 (4)	0.0000 (3)	−0.0009 (3)	0.0023 (3)
S2	0.0092 (3)	0.0186 (3)	0.0188 (4)	0.0002 (3)	0.0004 (3)	0.0008 (4)
S3	0.0130 (4)	0.0303 (4)	0.0201 (4)	0.0001 (3)	0.0025 (3)	−0.0025 (4)
S4	0.0098 (3)	0.0221 (4)	0.0187 (4)	0.0007 (3)	0.0008 (3)	0.0005 (4)
N1	0.0211 (14)	0.0210 (13)	0.0232 (15)	0.0036 (11)	0.0000 (14)	−0.0005 (14)
N2	0.0294 (17)	0.0244 (14)	0.0275 (16)	−0.0013 (13)	−0.0028 (17)	0.0032 (16)
C1	0.0109 (13)	0.0188 (15)	0.0232 (17)	0.0004 (12)	−0.0012 (13)	0.0041 (13)
C2	0.0162 (16)	0.0276 (17)	0.0210 (18)	−0.0007 (13)	0.0018 (13)	−0.0030 (15)
C3	0.0167 (16)	0.0221 (16)	0.030 (2)	0.0020 (13)	−0.0030 (14)	−0.0058 (15)
C4	0.0253 (18)	0.0239 (17)	0.0208 (18)	0.0042 (14)	−0.0024 (15)	−0.0012 (15)
C5	0.044 (3)	0.0210 (18)	0.036 (2)	−0.0023 (17)	−0.010 (2)	−0.0038 (17)
C6	0.050 (3)	0.030 (2)	0.036 (2)	−0.0020 (19)	−0.009 (2)	0.006 (2)
C7	0.115 (7)	0.031 (3)	0.097 (6)	−0.017 (3)	−0.028 (6)	0.022 (4)
C8	0.0131 (15)	0.0248 (17)	0.026 (2)	−0.0002 (13)	0.0027 (13)	−0.0048 (15)
C9	0.0189 (17)	0.032 (2)	0.0241 (19)	−0.0009 (14)	−0.0017 (14)	0.0094 (16)
C10	0.0189 (17)	0.0233 (17)	0.030 (2)	0.0052 (14)	0.0044 (15)	0.0058 (15)
P1	0.0237 (5)	0.0215 (4)	0.0276 (5)	0.0015 (4)	−0.0041 (4)	0.0034 (4)
F1	0.0441 (15)	0.0313 (12)	0.0302 (13)	0.0015 (11)	−0.0016 (13)	0.0093 (12)
F2	0.0352 (14)	0.0288 (13)	0.0505 (18)	0.0056 (11)	0.0069 (13)	0.0147 (12)
F3	0.0305 (13)	0.0460 (15)	0.0434 (16)	0.0103 (12)	0.0071 (12)	0.0068 (14)
F4	0.0461 (16)	0.0389 (14)	0.0269 (13)	−0.0004 (13)	−0.0021 (13)	−0.0024 (11)
F5	0.0238 (13)	0.0352 (14)	0.084 (3)	0.0063 (11)	−0.0003 (14)	0.0167 (16)
F6	0.080 (3)	0.0400 (16)	0.049 (2)	0.0039 (16)	−0.0306 (18)	−0.0073 (14)
P2	0.0207 (4)	0.0254 (5)	0.0267 (5)	0.0014 (4)	−0.0027 (4)	−0.0060 (4)
F7	0.125 (3)	0.0390 (17)	0.0273 (15)	−0.034 (2)	−0.010 (2)	0.0043 (13)
F8	0.089 (3)	0.086 (3)	0.054 (2)	−0.059 (2)	0.040 (2)	−0.024 (2)
F9	0.0261 (12)	0.0282 (11)	0.0341 (14)	0.0008 (10)	−0.0020 (10)	−0.0097 (11)
F10	0.0383 (15)	0.0422 (15)	0.0400 (16)	0.0129 (13)	−0.0168 (13)	−0.0089 (13)
F11	0.0354 (14)	0.0431 (14)	0.0397 (17)	0.0112 (12)	−0.0089 (12)	−0.0241 (13)
F12	0.061 (2)	0.093 (3)	0.097 (3)	0.052 (2)	−0.053 (2)	−0.069 (3)

Geometric parameters (Å, º) top

Cu1—N1	1.973 (3)	C5—H5A	0.9800
Cu1—S1	2.2630 (10)	C5—H5B	0.9800
Cu1—S2ⁱ	2.3305 (9)	C5—H5C	0.9800
Cu1—S4ⁱ	2.3367 (11)	C6—C7	1.469 (7)
Cu2—N2	1.980 (3)	C7—H7A	0.9800
Cu2—S3	2.2886 (11)	C7—H7B	0.9800
Cu2—S4ⁱ	2.3281 (9)	C7—H7C	0.9800
Cu2—S2	2.3357 (11)	C8—H8A	0.9900
S1—C1	1.808 (4)	C8—H8B	0.9900
S1—C2	1.817 (4)	C9—C10	1.524 (6)
S2—C1	1.827 (4)	C9—H9A	0.9900
S2—C3	1.836 (4)	C9—H9B	0.9900
S3—C8	1.806 (4)	C10—H10A	0.9900
S3—C9	1.817 (4)	C10—H10B	0.9900
S4—C8	1.825 (4)	P1—F6	1.579 (3)
S4—C10	1.830 (4)	P1—F5	1.597 (3)
N1—C4	1.140 (5)	P1—F3	1.602 (3)
N2—C6	1.132 (6)	P1—F4	1.608 (3)
C1—H1A	0.9900	P1—F1	1.613 (3)
C1—H1B	0.9900	P1—F2	1.617 (3)
C2—C3	1.523 (6)	P2—F8	1.577 (4)
C2—H2A	0.9900	P2—F10	1.579 (3)
C2—H2B	0.9900	P2—F12	1.588 (3)
C3—H3A	0.9900	P2—F7	1.590 (4)
C3—H3B	0.9900	P2—F11	1.611 (3)
C4—C5	1.456 (6)	P2—F9	1.613 (3)

N1—Cu1—S1	119.47 (11)	H5B—C5—H5C	109.5
N1—Cu1—S2ⁱ	99.97 (9)	N2—C6—C7	179.0 (7)
S1—Cu1—S2ⁱ	115.68 (4)	C6—C7—H7A	109.5
N1—Cu1—S4ⁱ	105.68 (12)	C6—C7—H7B	109.5
S1—Cu1—S4ⁱ	110.65 (4)	H7A—C7—H7B	109.5
S2ⁱ—Cu1—S4ⁱ	103.69 (4)	C6—C7—H7C	109.5
N2—Cu2—S3	112.75 (12)	H7A—C7—H7C	109.5
N2—Cu2—S4ⁱ	99.29 (11)	H7B—C7—H7C	109.5
S3—Cu2—S4ⁱ	118.69 (4)	S3—C8—S4	107.2 (2)
N2—Cu2—S2	106.03 (13)	S3—C8—H8A	110.3
S3—Cu2—S2	115.99 (4)	S4—C8—H8A	110.3
S4ⁱ—Cu2—S2	102.03 (4)	S3—C8—H8B	110.3
C1—S1—C2	92.80 (17)	S4—C8—H8B	110.3
C1—S1—Cu1	105.74 (13)	H8A—C8—H8B	108.5
C2—S1—Cu1	106.41 (13)	C10—C9—S3	107.7 (3)
C1—S2—C3	97.91 (17)	C10—C9—H9A	110.2
C1—S2—Cu1ⁱⁱ	109.15 (11)	S3—C9—H9A	110.2
C3—S2—Cu1ⁱⁱ	116.70 (13)	C10—C9—H9B	110.2
C1—S2—Cu2	110.50 (13)	S3—C9—H9B	110.2
C3—S2—Cu2	110.50 (14)	H9A—C9—H9B	108.5
Cu1ⁱⁱ—S2—Cu2	111.28 (4)	C9—C10—S4	108.2 (3)
C8—S3—C9	91.90 (18)	C9—C10—H10A	110.0
C8—S3—Cu2	110.66 (14)	S4—C10—H10A	110.0
C9—S3—Cu2	102.31 (14)	C9—C10—H10B	110.0
C8—S4—C10	97.95 (18)	S4—C10—H10B	110.0
C8—S4—Cu2ⁱⁱ	109.72 (13)	H10A—C10—H10B	108.4
C10—S4—Cu2ⁱⁱ	121.31 (13)	F6—P1—F5	91.0 (2)
C8—S4—Cu1ⁱⁱ	104.29 (13)	F6—P1—F3	89.9 (2)
C10—S4—Cu1ⁱⁱ	117.50 (15)	F5—P1—F3	178.8 (2)
Cu2ⁱⁱ—S4—Cu1ⁱⁱ	104.54 (4)	F6—P1—F4	178.58 (19)
C4—N1—Cu1	161.5 (3)	F5—P1—F4	90.19 (18)
C6—N2—Cu2	172.0 (4)	F3—P1—F4	88.87 (17)
S1—C1—S2	107.58 (19)	F6—P1—F1	91.48 (18)
S1—C1—H1A	110.2	F5—P1—F1	90.12 (16)
S2—C1—H1A	110.2	F3—P1—F1	90.55 (16)
S1—C1—H1B	110.2	F4—P1—F1	89.24 (16)
S2—C1—H1B	110.2	F6—P1—F2	89.98 (19)
H1A—C1—H1B	108.5	F5—P1—F2	89.37 (16)
C3—C2—S1	109.0 (3)	F3—P1—F2	89.94 (15)
C3—C2—H2A	109.9	F4—P1—F2	89.31 (17)
S1—C2—H2A	109.9	F1—P1—F2	178.46 (18)
C3—C2—H2B	109.9	F8—P2—F10	92.1 (2)
S1—C2—H2B	109.9	F8—P2—F12	89.6 (3)
H2A—C2—H2B	108.3	F10—P2—F12	178.1 (3)
C2—C3—S2	109.2 (3)	F8—P2—F7	177.8 (2)
C2—C3—H3A	109.8	F10—P2—F7	89.9 (2)
S2—C3—H3A	109.8	F12—P2—F7	88.4 (3)
C2—C3—H3B	109.8	F8—P2—F11	91.27 (19)
S2—C3—H3B	109.8	F10—P2—F11	89.26 (15)
H3A—C3—H3B	108.3	F12—P2—F11	91.32 (16)
N1—C4—C5	178.2 (5)	F7—P2—F11	89.70 (18)
C4—C5—H5A	109.5	F8—P2—F9	89.15 (17)
C4—C5—H5B	109.5	F10—P2—F9	90.17 (15)
H5A—C5—H5B	109.5	F12—P2—F9	89.25 (16)
C4—C5—H5C	109.5	F7—P2—F9	89.90 (17)
H5A—C5—H5C	109.5	F11—P2—F9	179.30 (16)

C2—S1—C1—S2	40.7 (2)	C9—S3—C8—S4	−41.9 (2)
Cu1—S1—C1—S2	−67.21 (18)	Cu2—S3—C8—S4	62.0 (2)
C3—S2—C1—S1	−23.4 (2)	C10—S4—C8—S3	22.5 (2)
Cu1ⁱⁱ—S2—C1—S1	−145.34 (13)	Cu2ⁱⁱ—S4—C8—S3	149.92 (14)
Cu2—S2—C1—S1	91.98 (18)	Cu1ⁱⁱ—S4—C8—S3	−98.58 (18)
C1—S1—C2—C3	−48.2 (3)	C8—S3—C9—C10	51.8 (3)
Cu1—S1—C2—C3	59.1 (3)	Cu2—S3—C9—C10	−59.9 (3)
S1—C2—C3—S2	37.2 (3)	S3—C9—C10—S4	−41.7 (3)
C1—S2—C3—C2	−8.0 (3)	C8—S4—C10—C9	11.4 (3)
Cu1ⁱⁱ—S2—C3—C2	108.1 (2)	Cu2ⁱⁱ—S4—C10—C9	−107.6 (2)
Cu2—S2—C3—C2	−123.5 (2)	Cu1ⁱⁱ—S4—C10—C9	122.1 (3)

Symmetry codes: (i) x+1/2, −y+3/2, z; (ii) x−1/2, −y+3/2, z.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
C1—H1A···F9ⁱⁱⁱ	0.99	2.55	3.264 (4)	129
C1—H1A···F12ⁱⁱⁱ	0.99	2.40	3.277 (5)	147
C2—H2A···F9ⁱⁱⁱ	0.99	2.50	3.287 (5)	136
C3—H3B···F4ⁱⁱ	0.99	2.42	3.376 (5)	161
C5—H5C···F6^iv	0.98	2.54	3.426 (6)	151
C8—H8A···F11	0.99	2.34	3.186 (5)	143
C8—H8B···F2^v	0.99	2.46	3.323 (5)	145
C10—H10A···F7ⁱⁱ	0.99	2.31	3.221 (5)	152
C10—H10B···F1ⁱⁱ	0.99	2.48	3.264 (5)	136

Symmetry codes: (ii) x−1/2, −y+3/2, z; (iii) −x+1, −y+1, z+1/2; (iv) x, y+1, z; (v) −x+1, −y+1, z−1/2.

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