catena-Poly[[[acetonitrilebis[μ-bis­(diphenyl­phosphino)­methane-κ2P:P′]dicopper(I)]-μ-(1,2-dicyano­ethyl­ene-1,2-dithiol­ato)-[(1,2-dicyano­ethyl­ene-1,2-dithiol­ato)­tungstate(IV)]-μ-(1,2-dicyano­ethyl­ene-1,2-dithiol­ato)] diethyl ether disolvate acetonitrile solvate]

Fu, W.-W.; Chen, Z.-N.

doi:10.1107/S1600536807000979

catena-Poly[[[acetonitrilebis[μ-bis(diphenylphosphino)methane-κ²P:P′]dicopper(I)]-μ-(1,2-dicyanoethylene-1,2-dithiolato)-[(1,2-dicyanoethylene-1,2-dithiolato)tungstate(IV)]-μ-(1,2-dicyanoethylene-1,2-dithiolato)] diethyl ether disolvate acetonitrile solvate]

The reaction between [Cu₂(μ-bis(diphenylphosphino)methane)₂(MeCN)₂](ClO₄)₂ and (Bu₄N)₂[W(cis-1,2-dicyanoethylene-1,2-dithiolate)₃] gave the title compound, {[Cu₂W(C₄N₂S₂)₃(C₂H₃N)(C₂₅H₂₂P₂)₂]·2C₄H₁₀O·C₂H₃N}_n. Due to the binding between a Cu atom of the binuclear copper unit [Cu₂{bis(diphenylphosphino)methane}₂(MeCN)]²⁺ and the N atoms of the buliding block [W(cis-1,2-dicyano-ethylene-1,2-dithiolate)₃]²⁻, a one-dimensional zigzag chain structure is formed.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807000979/bt2238sup1.cif Contains datablocks I, global
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536807000979/bt2238Isup2.hkl Contains datablock I

CCDC reference: 636851

checkCIF report

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.015 Å
R factor = 0.054
wR factor = 0.124
Data-to-parameter ratio = 16.0

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT220_ALERT_2_B Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.54 Ratio
PLAT241_ALERT_2_B Check High      Ueq as Compared to Neighbors for       C115
PLAT241_ALERT_2_B Check High      Ueq as Compared to Neighbors for       C305
PLAT731_ALERT_1_B Bond    Calc     1.49(5), Rep   1.499(10) ......       5.00 su-Ra
              C01  -C02     1.555   1.555

Alert level C
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large .............       0.89
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.51
PLAT220_ALERT_2_C Large Non-Solvent    N     Ueq(max)/Ueq(min) ...       2.96 Ratio
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.61 Ratio
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for       C105
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for       C205
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for       C306
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for       C415
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C15
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for       C111
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for       C114
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for       C211
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for       C301
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for       C304
PLAT243_ALERT_4_C High  'Solvent' Ueq as Compared to Neighbors for        C03
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        O01
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C01
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        O02
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C06
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C07
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C32
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         15
PLAT360_ALERT_2_C Short  C(sp3)-C(sp3) Bond  C05    -   C06    ...       1.43 Ang.
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C5     -   C6     ...       1.43 Ang.
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C7     -   C8     ...       1.43 Ang.
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C9     -   C10    ...       1.42 Ang.
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C11    -   C12    ...       1.45 Ang.
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C13    -   C14    ...       1.43 Ang.
PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of .      43.00 A   3 
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........         30
PLAT731_ALERT_1_C Bond    Calc     1.41(3), Rep   1.413(10) ......       3.00 su-Ra
              O01  -C03     1.555   1.555
PLAT731_ALERT_1_C Bond    Calc     1.43(4), Rep   1.428(10) ......       4.00 su-Ra
              O01  -C01     1.555   1.555
PLAT731_ALERT_1_C Bond    Calc     1.49(4), Rep   1.492(10) ......       4.00 su-Ra
              C03  -C04     1.555   1.555
PLAT732_ALERT_1_C Angle   Calc      106(3), Rep   106.1(10) ......       3.00 su-Ra
              O01  -C01  -C02     1.555   1.555   1.555

Alert level G
ABSTM02_ALERT_3_G  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      0.511
            Tmax scaled      0.511 Tmin scaled      0.369
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K

   0 ALERT level A = In general: serious problem
   4 ALERT level B = Potentially serious problem
  34 ALERT level C = Check and explain
   3 ALERT level G = General alerts; check

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

Computing details top

Data collection: SMART (Bruker, 1997); cell refinement: SMART; data reduction: SAINT (Bruker, 1997); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1999); software used to prepare material for publication: SHELXTL.

Bis[µ-bis(diphenylphosphino)methane-κ²P:P']acetonitriledicopper(I) tris(1,2-dicyanoethylene-1,2-dithiolato)tungsten(IV)–diethyl ether–acetonitile (1/2/1) top

Crystal data top

[Cu₂(C₂H₃N)(C₂₅H₂₂P₂)₂][W(C₄N₂S₂)₃]·2C₄H₁₀O·C₂H₃N	F(000) = 3496
M_r = 1730.55	D_x = 1.434 Mg m⁻³
Monoclinic, P2₁/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 253 reflections
a = 17.3530 (3) Å	θ = 1.3–25.0°
b = 21.8357 (4) Å	µ = 2.24 mm⁻¹
c = 21.2915 (3) Å	T = 293 K
β = 96.502 (1)°	Prism, purple
V = 8015.8 (2) Å³	0.41 × 0.37 × 0.30 mm
Z = 4

Data collection top

Bruker SMART CCD diffractometer	14033 independent reflections
Radiation source: fine-focus sealed tube	9834 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.041
φ and ω scans	θ_max = 25.0°, θ_min = 1.3°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −20→16
T_min = 0.723, T_max = 1.000	k = −21→25
25728 measured reflections	l = −25→19

Refinement top

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.054	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.124	H-atom parameters constrained
S = 1.20	w = 1/[σ²(F_o²) + (0.0261P)² + 28.6662P] where P = (F_o² + 2F_c²)/3
14033 reflections	(Δ/σ)_max = 0.002
875 parameters	Δρ_max = 0.75 e Å⁻³
7 restraints	Δρ_min = −0.66 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
W1	0.872697 (17)	0.305269 (14)	0.242844 (14)	0.03821 (9)
Cu1	0.45060 (5)	0.29485 (4)	0.18676 (4)	0.0430 (2)
Cu2	0.48059 (5)	0.14255 (4)	0.16861 (4)	0.0374 (2)
S1	0.75430 (11)	0.26177 (9)	0.19495 (8)	0.0449 (5)
S2	0.81364 (11)	0.28464 (10)	0.33697 (8)	0.0492 (5)
S3	0.91981 (13)	0.26147 (11)	0.15191 (10)	0.0608 (6)
S4	0.97554 (12)	0.24602 (9)	0.29561 (9)	0.0489 (5)
S5	0.83763 (13)	0.38758 (10)	0.17140 (10)	0.0594 (6)
S6	0.93274 (12)	0.38694 (9)	0.30511 (9)	0.0468 (5)
P1	0.35188 (11)	0.26755 (9)	0.24237 (9)	0.0410 (5)
P2	0.37293 (11)	0.12845 (8)	0.21760 (9)	0.0372 (4)
P3	0.45950 (11)	0.16058 (8)	0.06320 (8)	0.0360 (4)
P4	0.44358 (11)	0.29985 (8)	0.07965 (8)	0.0367 (4)
N1	0.5669 (4)	0.1932 (3)	0.2138 (3)	0.0442 (14)
N2	0.6423 (5)	0.2204 (5)	0.4050 (4)	0.099 (3)
N3	1.0476 (6)	0.1478 (5)	0.0896 (5)	0.110 (3)
N4	1.1356 (5)	0.1390 (4)	0.2836 (4)	0.085 (3)
N5	0.8439 (6)	0.5559 (4)	0.1455 (5)	0.133 (5)
N6	0.9645 (4)	0.5570 (3)	0.3150 (3)	0.0519 (17)
N7	0.5382 (4)	0.3438 (3)	0.2284 (3)	0.0528 (17)
C1	0.4046 (4)	0.2309 (3)	0.0393 (3)	0.0384 (17)
H1A	0.4045	0.2365	−0.0059	0.046*
H1B	0.3513	0.2256	0.0477	0.046*
C2	0.3068 (4)	0.1939 (3)	0.2193 (3)	0.0421 (17)
H2A	0.2786	0.1985	0.1776	0.051*
H2B	0.2693	0.1845	0.2483	0.051*
C3	0.6251 (4)	0.2145 (3)	0.2343 (3)	0.0417 (18)
C4	0.6979 (4)	0.2413 (3)	0.2539 (3)	0.0415 (17)
C5	0.7232 (4)	0.2511 (3)	0.3159 (3)	0.0430 (18)
C6	0.6783 (5)	0.2333 (4)	0.3654 (4)	0.057 (2)
C7	1.0254 (6)	0.1757 (5)	0.1287 (5)	0.074 (3)
C8	0.9937 (5)	0.2108 (4)	0.1766 (4)	0.059 (2)
C9	1.0197 (4)	0.2053 (4)	0.2396 (4)	0.052 (2)
C10	1.0829 (5)	0.1670 (4)	0.2621 (4)	0.062 (2)
C11	0.9416 (4)	0.5120 (4)	0.2934 (4)	0.0452 (19)
C12	0.9132 (4)	0.4550 (3)	0.2644 (4)	0.0458 (19)
C13	0.8724 (5)	0.4553 (4)	0.2063 (4)	0.055 (2)
C14	0.8564 (6)	0.5113 (5)	0.1720 (5)	0.081 (3)
C15	0.5892 (5)	0.3728 (4)	0.2474 (4)	0.056 (2)
C16	0.6565 (5)	0.4098 (4)	0.2711 (6)	0.090 (4)
H16A	0.6684	0.4033	0.3157	0.136*
H16B	0.6450	0.4524	0.2632	0.136*
H16C	0.7001	0.3982	0.2498	0.136*
C101	0.2690 (4)	0.3191 (3)	0.2254 (3)	0.0455 (19)
C102	0.1967 (5)	0.3087 (4)	0.2442 (4)	0.063 (2)
H10A	0.1897	0.2749	0.2695	0.076*
C103	0.1342 (5)	0.3468 (4)	0.2268 (5)	0.076 (3)
H10B	0.0861	0.3384	0.2401	0.092*
C104	0.1436 (7)	0.3964 (5)	0.1902 (5)	0.083 (3)
H10D	0.1017	0.4221	0.1782	0.100*
C105	0.2142 (8)	0.4088 (5)	0.1711 (5)	0.099 (4)
H10E	0.2207	0.4428	0.1458	0.118*
C106	0.2769 (6)	0.3704 (4)	0.1896 (5)	0.077 (3)
H10C	0.3253	0.3798	0.1774	0.092*
C111	0.3702 (4)	0.2663 (3)	0.3290 (3)	0.0464 (19)
C112	0.3253 (5)	0.2342 (4)	0.3672 (4)	0.058 (2)
H11D	0.2836	0.2110	0.3491	0.069*
C113	0.3418 (6)	0.2365 (5)	0.4324 (5)	0.079 (3)
H11H	0.3124	0.2135	0.4577	0.094*
C114	0.4002 (7)	0.2715 (6)	0.4592 (5)	0.093 (4)
H11G	0.4102	0.2730	0.5030	0.111*
C115	0.4442 (8)	0.3043 (7)	0.4235 (5)	0.138 (6)
H11E	0.4839	0.3290	0.4425	0.166*
C116	0.4298 (6)	0.3010 (6)	0.3577 (4)	0.101 (4)
H11F	0.4612	0.3227	0.3330	0.121*
C201	0.3880 (5)	0.1030 (3)	0.3001 (3)	0.0458 (19)
C202	0.3278 (5)	0.0795 (4)	0.3306 (4)	0.057 (2)
H20A	0.2788	0.0745	0.3086	0.069*
C203	0.3410 (7)	0.0633 (4)	0.3944 (5)	0.079 (3)
H20C	0.3007	0.0477	0.4149	0.095*
C204	0.4138 (8)	0.0704 (6)	0.4268 (5)	0.100 (4)
H20E	0.4225	0.0597	0.4693	0.119*
C205	0.4721 (7)	0.0928 (6)	0.3972 (5)	0.103 (4)
H20D	0.5212	0.0971	0.4194	0.124*
C206	0.4603 (5)	0.1098 (4)	0.3336 (4)	0.066 (2)
H20B	0.5011	0.1256	0.3138	0.079*
C211	0.3105 (4)	0.0692 (3)	0.1782 (3)	0.0422 (18)
C212	0.3310 (6)	0.0087 (4)	0.1873 (4)	0.066 (3)
H21B	0.3743	−0.0013	0.2152	0.080*
C213	0.2879 (6)	−0.0378 (4)	0.1554 (5)	0.080 (3)
H21C	0.3008	−0.0785	0.1638	0.096*
C214	0.2277 (6)	−0.0239 (5)	0.1125 (5)	0.086 (3)
H21E	0.2000	−0.0550	0.0904	0.104*
C215	0.2069 (6)	0.0360 (5)	0.1009 (5)	0.094 (4)
H21D	0.1653	0.0455	0.0711	0.113*
C216	0.2483 (5)	0.0824 (4)	0.1341 (5)	0.073 (3)
H21A	0.2338	0.1230	0.1264	0.087*
C301	0.4016 (4)	0.1013 (3)	0.0198 (3)	0.0409 (17)
C302	0.4204 (6)	0.0411 (4)	0.0344 (5)	0.075 (3)
H30C	0.4604	0.0325	0.0661	0.090*
C303	0.3806 (6)	−0.0070 (4)	0.0024 (6)	0.091 (3)
H30B	0.3930	−0.0472	0.0136	0.109*
C304	0.3238 (7)	0.0048 (5)	−0.0448 (5)	0.090 (3)
H30A	0.2989	−0.0272	−0.0677	0.107*
C305	0.3037 (8)	0.0630 (5)	−0.0585 (6)	0.127 (6)
H30E	0.2634	0.0711	−0.0901	0.153*
C306	0.3420 (7)	0.1112 (5)	−0.0263 (5)	0.100 (4)
H30D	0.3268	0.1512	−0.0365	0.120*
C311	0.5455 (4)	0.1654 (3)	0.0213 (3)	0.0390 (17)
C312	0.5397 (5)	0.1673 (4)	−0.0448 (4)	0.059 (2)
H31B	0.4910	0.1666	−0.0682	0.071*
C313	0.6052 (6)	0.1700 (4)	−0.0754 (5)	0.073 (3)
H31C	0.6007	0.1704	−0.1194	0.088*
C314	0.6770 (6)	0.1722 (4)	−0.0417 (5)	0.074 (3)
H31D	0.7210	0.1750	−0.0627	0.088*
C315	0.6847 (5)	0.1703 (4)	0.0233 (5)	0.071 (3)
H31E	0.7335	0.1713	0.0463	0.085*
C316	0.6181 (5)	0.1667 (4)	0.0544 (4)	0.056 (2)
H31A	0.6231	0.1652	0.0983	0.067*
C401	0.3771 (4)	0.3606 (3)	0.0488 (3)	0.0445 (18)
C402	0.3105 (5)	0.3520 (4)	0.0077 (4)	0.055 (2)
H40A	0.2963	0.3125	−0.0052	0.066*
C403	0.2645 (6)	0.4005 (5)	−0.0145 (4)	0.071 (3)
H40B	0.2200	0.3934	−0.0421	0.085*
C404	0.2836 (6)	0.4585 (5)	0.0037 (5)	0.078 (3)
H40D	0.2528	0.4912	−0.0117	0.094*
C405	0.3492 (7)	0.4685 (4)	0.0451 (5)	0.084 (3)
H40E	0.3622	0.5082	0.0582	0.101*
C406	0.3961 (5)	0.4200 (4)	0.0675 (4)	0.067 (2)
H40C	0.4405	0.4274	0.0953	0.080*
C411	0.5288 (4)	0.3197 (3)	0.0404 (3)	0.0396 (17)
C412	0.5222 (5)	0.3299 (4)	−0.0243 (4)	0.067 (3)
H41E	0.4745	0.3252	−0.0486	0.081*
C413	0.5866 (6)	0.3470 (5)	−0.0526 (4)	0.077 (3)
H41C	0.5817	0.3536	−0.0960	0.092*
C414	0.6570 (5)	0.3546 (4)	−0.0184 (5)	0.070 (3)
H41B	0.6998	0.3664	−0.0381	0.084*
C415	0.6640 (6)	0.3447 (5)	0.0449 (5)	0.084 (3)
H41D	0.7119	0.3496	0.0688	0.101*
C416	0.6002 (5)	0.3274 (4)	0.0741 (4)	0.058 (2)
H41A	0.6058	0.3208	0.1175	0.070*
O01	0.0188 (13)	0.0393 (8)	−0.1456 (10)	0.341 (16)
C01	0.050 (3)	0.0186 (16)	−0.0842 (13)	0.53 (4)
H01A	0.0820	−0.0171	−0.0874	0.631*
H01B	0.0080	0.0081	−0.0594	0.631*
C02	0.096 (2)	0.0708 (18)	−0.0543 (13)	0.87 (10)
H02A	0.0944	0.1046	−0.0833	1.307*
H02B	0.1494	0.0580	−0.0442	1.307*
H02C	0.0757	0.0832	−0.0164	1.307*
C03	−0.016 (2)	−0.0093 (8)	−0.1823 (16)	0.49 (4)
H03A	−0.0426	−0.0366	−0.1559	0.589*
H03B	0.0232	−0.0326	−0.2009	0.589*
C04	−0.0725 (14)	0.0175 (10)	−0.2329 (13)	0.298 (17)
H04A	−0.1244	0.0076	−0.2248	0.447*
H04B	−0.0632	0.0009	−0.2731	0.447*
H04C	−0.0664	0.0611	−0.2335	0.447*
O02	0.6454 (6)	0.5526 (4)	0.2149 (4)	0.125 (3)
C05	0.5754 (13)	0.5160 (9)	0.1216 (7)	0.233 (12)
H05A	0.5531	0.5276	0.0799	0.349*
H05B	0.5356	0.5005	0.1450	0.349*
H05C	0.6139	0.4849	0.1185	0.349*
C06	0.6109 (10)	0.5685 (7)	0.1532 (7)	0.145 (6)
H06A	0.6502	0.5848	0.1289	0.174*
H06B	0.5721	0.6000	0.1563	0.174*
C07	0.6796 (10)	0.6010 (6)	0.2509 (8)	0.151 (6)
H07A	0.6402	0.6312	0.2572	0.181*
H07B	0.7181	0.6205	0.2279	0.181*
C08	0.7159 (12)	0.5808 (7)	0.3115 (8)	0.210 (11)
H08A	0.7404	0.6150	0.3340	0.316*
H08B	0.7542	0.5503	0.3055	0.316*
H08C	0.6775	0.5636	0.3354	0.316*
N8	0.2122 (6)	0.2395 (5)	0.0762 (5)	0.114 (4)
C31	0.0902 (7)	0.3077 (6)	0.0450 (5)	0.107 (4)
H31F	0.0650	0.2945	0.0049	0.161*
H31G	0.1060	0.3497	0.0421	0.161*
H31H	0.0549	0.3041	0.0764	0.161*
C32	0.1589 (8)	0.2692 (6)	0.0630 (5)	0.095 (4)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
W1	0.03715 (16)	0.03789 (17)	0.03835 (16)	−0.00607 (15)	−0.00117 (12)	−0.00068 (14)
Cu1	0.0446 (5)	0.0442 (6)	0.0405 (5)	−0.0037 (4)	0.0057 (4)	0.0003 (4)
Cu2	0.0362 (5)	0.0372 (5)	0.0383 (5)	−0.0027 (4)	0.0019 (4)	0.0007 (4)
S1	0.0435 (11)	0.0547 (12)	0.0352 (10)	−0.0161 (9)	−0.0011 (8)	−0.0018 (9)
S2	0.0461 (11)	0.0648 (14)	0.0359 (10)	−0.0171 (10)	0.0007 (8)	−0.0060 (9)
S3	0.0565 (13)	0.0838 (17)	0.0425 (11)	0.0072 (12)	0.0076 (10)	−0.0052 (11)
S4	0.0500 (12)	0.0465 (12)	0.0479 (11)	0.0058 (10)	−0.0040 (9)	−0.0035 (9)
S5	0.0712 (15)	0.0492 (13)	0.0512 (12)	−0.0167 (11)	−0.0216 (11)	0.0089 (10)
S6	0.0559 (12)	0.0358 (10)	0.0451 (11)	−0.0075 (9)	−0.0098 (9)	0.0028 (8)
P1	0.0445 (11)	0.0354 (11)	0.0437 (11)	−0.0028 (9)	0.0078 (9)	0.0004 (9)
P2	0.0389 (10)	0.0313 (10)	0.0409 (10)	−0.0007 (8)	0.0029 (8)	0.0030 (8)
P3	0.0403 (10)	0.0303 (10)	0.0365 (10)	−0.0022 (8)	0.0005 (8)	−0.0005 (8)
P4	0.0405 (10)	0.0318 (10)	0.0371 (9)	0.0001 (9)	0.0011 (8)	0.0022 (8)
N1	0.047 (4)	0.044 (4)	0.042 (3)	−0.003 (3)	0.003 (3)	0.001 (3)
N2	0.087 (6)	0.147 (9)	0.067 (5)	−0.030 (6)	0.030 (5)	0.004 (6)
N3	0.120 (8)	0.114 (8)	0.105 (7)	0.034 (7)	0.046 (6)	−0.022 (6)
N4	0.063 (5)	0.095 (7)	0.097 (6)	0.017 (5)	0.010 (5)	0.008 (5)
N5	0.139 (9)	0.083 (7)	0.156 (10)	−0.039 (6)	−0.078 (8)	0.070 (7)
N6	0.054 (4)	0.040 (4)	0.060 (4)	−0.006 (3)	−0.001 (3)	−0.002 (3)
N7	0.054 (4)	0.048 (4)	0.056 (4)	−0.007 (4)	0.008 (3)	−0.011 (3)
C1	0.039 (4)	0.039 (4)	0.037 (4)	0.001 (3)	0.002 (3)	0.008 (3)
C2	0.038 (4)	0.035 (4)	0.054 (4)	0.002 (4)	0.004 (3)	−0.002 (4)
C3	0.042 (4)	0.037 (4)	0.045 (4)	0.001 (4)	−0.001 (4)	−0.002 (3)
C4	0.040 (4)	0.033 (4)	0.049 (4)	−0.003 (3)	−0.005 (3)	−0.004 (3)
C5	0.041 (4)	0.044 (4)	0.044 (4)	−0.009 (4)	0.010 (3)	−0.002 (4)
C6	0.055 (5)	0.071 (6)	0.045 (5)	−0.010 (5)	0.008 (4)	−0.004 (4)
C7	0.074 (7)	0.076 (7)	0.076 (7)	0.014 (6)	0.026 (5)	−0.006 (5)
C8	0.055 (5)	0.069 (6)	0.055 (5)	−0.001 (4)	0.014 (4)	−0.007 (4)
C9	0.044 (4)	0.048 (5)	0.064 (5)	−0.002 (4)	0.010 (4)	−0.002 (4)
C10	0.050 (5)	0.066 (6)	0.068 (6)	0.010 (5)	0.004 (5)	−0.001 (5)
C11	0.038 (4)	0.044 (5)	0.053 (5)	−0.002 (4)	−0.001 (4)	0.009 (4)
C12	0.050 (5)	0.029 (4)	0.057 (5)	−0.006 (4)	0.001 (4)	0.011 (4)
C13	0.059 (5)	0.043 (5)	0.058 (5)	−0.015 (4)	−0.011 (4)	0.012 (4)
C14	0.082 (7)	0.067 (7)	0.082 (7)	−0.023 (6)	−0.039 (6)	0.024 (6)
C15	0.060 (6)	0.048 (5)	0.059 (5)	0.006 (5)	0.006 (4)	−0.009 (4)
C16	0.060 (6)	0.059 (6)	0.146 (10)	−0.010 (5)	−0.017 (6)	−0.026 (6)
C101	0.051 (5)	0.040 (5)	0.047 (4)	0.006 (4)	0.012 (4)	0.002 (3)
C102	0.062 (6)	0.047 (5)	0.081 (6)	0.002 (5)	0.016 (5)	0.004 (5)
C103	0.047 (5)	0.061 (6)	0.121 (9)	0.007 (5)	0.008 (5)	−0.012 (6)
C104	0.089 (8)	0.073 (8)	0.088 (7)	0.038 (6)	0.006 (6)	0.008 (6)
C105	0.136 (11)	0.074 (7)	0.093 (8)	0.051 (8)	0.044 (8)	0.029 (6)
C106	0.094 (7)	0.057 (6)	0.087 (7)	0.027 (6)	0.045 (6)	0.019 (5)
C111	0.052 (5)	0.043 (5)	0.045 (4)	−0.001 (4)	0.007 (4)	−0.004 (4)
C112	0.061 (5)	0.062 (6)	0.053 (5)	−0.002 (5)	0.016 (4)	0.000 (4)
C113	0.096 (8)	0.081 (7)	0.063 (6)	0.006 (6)	0.029 (6)	0.011 (5)
C114	0.087 (8)	0.144 (11)	0.047 (6)	−0.009 (8)	0.005 (6)	0.007 (7)
C115	0.140 (11)	0.215 (16)	0.055 (7)	−0.107 (12)	−0.007 (7)	−0.018 (8)
C116	0.103 (8)	0.140 (10)	0.057 (6)	−0.073 (8)	0.001 (6)	0.011 (6)
C201	0.058 (5)	0.034 (4)	0.045 (4)	−0.003 (4)	0.009 (4)	0.005 (3)
C202	0.074 (6)	0.047 (5)	0.053 (5)	−0.009 (5)	0.016 (4)	0.003 (4)
C203	0.128 (10)	0.052 (6)	0.063 (6)	0.001 (6)	0.039 (7)	0.013 (5)
C204	0.129 (11)	0.114 (10)	0.054 (7)	0.012 (9)	0.008 (7)	0.023 (6)
C205	0.099 (9)	0.149 (12)	0.057 (7)	0.004 (9)	−0.015 (6)	0.008 (7)
C206	0.060 (6)	0.089 (7)	0.047 (5)	−0.002 (5)	−0.002 (4)	0.007 (5)
C211	0.042 (4)	0.038 (4)	0.048 (4)	−0.003 (4)	0.011 (4)	−0.002 (3)
C212	0.081 (7)	0.039 (5)	0.074 (6)	−0.002 (5)	−0.010 (5)	−0.009 (4)
C213	0.104 (8)	0.037 (5)	0.098 (8)	−0.003 (5)	0.001 (7)	−0.009 (5)
C214	0.084 (8)	0.068 (7)	0.101 (8)	−0.020 (6)	−0.014 (6)	−0.028 (6)
C215	0.077 (7)	0.083 (8)	0.112 (9)	−0.003 (6)	−0.037 (6)	−0.020 (7)
C216	0.062 (6)	0.059 (6)	0.091 (7)	0.000 (5)	−0.018 (5)	−0.009 (5)
C301	0.050 (4)	0.037 (4)	0.036 (4)	−0.009 (4)	0.005 (3)	0.000 (3)
C302	0.076 (7)	0.048 (6)	0.094 (7)	−0.002 (5)	−0.019 (6)	−0.014 (5)
C303	0.107 (9)	0.039 (6)	0.121 (9)	−0.006 (6)	−0.010 (7)	−0.022 (6)
C304	0.123 (10)	0.074 (8)	0.065 (7)	−0.035 (7)	−0.014 (6)	−0.010 (6)
C305	0.163 (12)	0.080 (8)	0.114 (10)	−0.054 (9)	−0.089 (9)	0.020 (7)
C306	0.132 (10)	0.059 (6)	0.092 (8)	−0.035 (7)	−0.066 (7)	0.017 (6)
C311	0.045 (4)	0.025 (4)	0.047 (4)	−0.001 (3)	0.004 (3)	−0.003 (3)
C312	0.053 (5)	0.071 (6)	0.054 (5)	0.010 (5)	0.008 (4)	0.007 (4)
C313	0.080 (7)	0.078 (7)	0.064 (6)	0.011 (6)	0.024 (6)	0.008 (5)
C314	0.077 (7)	0.057 (6)	0.097 (8)	−0.012 (5)	0.052 (6)	−0.009 (5)
C315	0.044 (5)	0.078 (7)	0.090 (7)	−0.004 (5)	0.009 (5)	−0.024 (6)
C316	0.052 (5)	0.061 (5)	0.056 (5)	−0.001 (4)	0.012 (4)	−0.009 (4)
C401	0.055 (5)	0.035 (4)	0.044 (4)	0.010 (4)	0.010 (4)	0.006 (3)
C402	0.050 (5)	0.058 (5)	0.057 (5)	0.009 (4)	−0.002 (4)	0.003 (4)
C403	0.069 (6)	0.070 (7)	0.070 (6)	0.022 (5)	−0.005 (5)	0.011 (5)
C404	0.083 (7)	0.081 (8)	0.069 (6)	0.036 (6)	0.009 (6)	0.014 (6)
C405	0.113 (9)	0.040 (5)	0.100 (8)	0.016 (6)	0.012 (7)	−0.007 (5)
C406	0.071 (6)	0.054 (6)	0.073 (6)	0.007 (5)	−0.004 (5)	0.005 (5)
C411	0.043 (4)	0.035 (4)	0.041 (4)	0.000 (3)	0.005 (3)	0.001 (3)
C412	0.064 (6)	0.085 (7)	0.051 (5)	−0.019 (5)	−0.003 (4)	0.013 (5)
C413	0.089 (8)	0.092 (8)	0.055 (6)	−0.012 (6)	0.027 (5)	0.021 (5)
C414	0.058 (6)	0.060 (6)	0.097 (8)	−0.002 (5)	0.034 (6)	0.013 (5)
C415	0.055 (6)	0.116 (9)	0.080 (7)	−0.007 (6)	0.006 (5)	0.014 (7)
C416	0.054 (5)	0.073 (6)	0.048 (5)	0.000 (5)	0.006 (4)	0.006 (4)
O01	0.41 (3)	0.25 (2)	0.42 (3)	0.16 (2)	0.25 (3)	0.16 (2)
C01	0.64 (9)	0.74 (10)	0.21 (4)	−0.19 (8)	0.06 (5)	0.12 (5)
C02	0.43 (7)	2.0 (3)	0.18 (3)	0.67 (12)	−0.07 (4)	−0.22 (7)
C03	0.49 (8)	0.17 (3)	0.89 (12)	0.10 (4)	0.40 (8)	0.22 (5)
C04	0.24 (3)	0.14 (2)	0.53 (6)	−0.04 (2)	0.11 (3)	0.07 (3)
O02	0.162 (9)	0.082 (6)	0.123 (7)	−0.030 (6)	−0.018 (6)	0.020 (5)
C05	0.35 (3)	0.22 (2)	0.113 (13)	−0.15 (2)	−0.044 (16)	−0.011 (13)
C06	0.186 (16)	0.142 (14)	0.102 (11)	−0.013 (12)	−0.001 (11)	0.033 (10)
C07	0.207 (17)	0.055 (8)	0.181 (16)	−0.014 (10)	−0.022 (14)	−0.013 (9)
C08	0.32 (3)	0.104 (12)	0.163 (15)	−0.054 (14)	−0.147 (17)	0.014 (11)
N8	0.087 (7)	0.129 (10)	0.125 (9)	0.005 (7)	0.001 (7)	0.049 (7)
C31	0.102 (9)	0.146 (12)	0.075 (7)	0.013 (9)	0.016 (7)	−0.002 (8)
C32	0.085 (8)	0.118 (11)	0.083 (8)	−0.015 (8)	0.015 (7)	0.027 (7)

Geometric parameters (Å, º) top

W1—S4	2.3805 (19)	C211—C212	1.376 (10)
W1—S3	2.385 (2)	C211—C216	1.379 (11)
W1—S1	2.3852 (18)	C212—C213	1.391 (12)
W1—S5	2.389 (2)	C212—H21B	0.9300
W1—S6	2.3896 (19)	C213—C214	1.342 (13)
W1—S2	2.3946 (19)	C213—H21C	0.9300
Cu1—N7	1.984 (7)	C214—C215	1.371 (14)
Cu1—P1	2.270 (2)	C214—H21E	0.9300
Cu1—P4	2.2724 (19)	C215—C216	1.387 (12)
Cu2—N1	2.017 (6)	C215—H21D	0.9300
Cu2—N6ⁱ	2.108 (7)	C216—H21A	0.9300
Cu2—P2	2.261 (2)	C301—C306	1.361 (11)
Cu2—P3	2.2670 (19)	C301—C302	1.381 (11)
S1—C4	1.736 (8)	C302—C303	1.391 (12)
S2—C5	1.744 (7)	C302—H30C	0.9300
S3—C8	1.731 (9)	C303—C304	1.350 (13)
S4—C9	1.735 (8)	C303—H30B	0.9300
S5—C13	1.733 (8)	C304—C305	1.341 (15)
S6—C12	1.734 (7)	C304—H30A	0.9300
P1—C101	1.829 (8)	C305—C306	1.384 (13)
P1—C2	1.830 (7)	C305—H30E	0.9300
P1—C111	1.836 (7)	C306—H30D	0.9300
P2—C211	1.830 (7)	C311—C316	1.373 (10)
P2—C201	1.832 (7)	C311—C312	1.400 (10)
P2—C2	1.836 (7)	C312—C313	1.376 (12)
P3—C301	1.825 (7)	C312—H31B	0.9300
P3—C311	1.825 (7)	C313—C314	1.366 (13)
P3—C1	1.847 (7)	C313—H31C	0.9300
P4—C1	1.825 (7)	C314—C315	1.375 (13)
P4—C411	1.831 (7)	C314—H31D	0.9300
P4—C401	1.831 (7)	C315—C316	1.397 (11)
N1—C3	1.151 (8)	C315—H31E	0.9300
N2—C6	1.140 (10)	C316—H31A	0.9300
N3—C7	1.134 (11)	C401—C402	1.381 (10)
N4—C10	1.150 (10)	C401—C406	1.386 (11)
N5—C14	1.135 (11)	C402—C403	1.378 (11)
N6—C11	1.137 (9)	C402—H40A	0.9300
N6—Cu2ⁱⁱ	2.108 (7)	C403—C404	1.354 (13)
N7—C15	1.126 (10)	C403—H40B	0.9300
C1—H1A	0.9700	C404—C405	1.375 (14)
C1—H1B	0.9700	C404—H40D	0.9300
C2—H2A	0.9700	C405—C406	1.387 (12)
C2—H2B	0.9700	C405—H40E	0.9300
C3—C4	1.412 (10)	C406—H40C	0.9300
C4—C5	1.359 (10)	C411—C416	1.370 (10)
C5—C6	1.433 (11)	C411—C412	1.387 (10)
C7—C8	1.433 (12)	C412—C413	1.379 (12)
C8—C9	1.371 (11)	C412—H41E	0.9300
C9—C10	1.419 (12)	C413—C414	1.361 (13)
C11—C12	1.452 (10)	C413—H41C	0.9300
C12—C13	1.353 (10)	C414—C415	1.357 (13)
C13—C14	1.434 (12)	C414—H41B	0.9300
C15—C16	1.461 (12)	C415—C416	1.382 (12)
C16—H16A	0.9600	C415—H41D	0.9300
C16—H16B	0.9600	C416—H41A	0.9300
C16—H16C	0.9600	O01—C03	1.413 (10)
C101—C106	1.370 (11)	O01—C01	1.428 (10)
C101—C102	1.378 (11)	C01—C02	1.499 (10)
C102—C103	1.384 (12)	C01—H01A	0.9700
C102—H10A	0.9300	C01—H01B	0.9700
C103—C104	1.355 (13)	C02—H02A	0.9600
C103—H10B	0.9300	C02—H02B	0.9600
C104—C105	1.362 (15)	C02—H02C	0.9600
C104—H10D	0.9300	C03—C04	1.492 (10)
C105—C106	1.396 (13)	C03—H03A	0.9700
C105—H10E	0.9300	C03—H03B	0.9700
C106—H10C	0.9300	C04—H04A	0.9600
C111—C116	1.368 (11)	C04—H04B	0.9600
C111—C112	1.380 (10)	C04—H04C	0.9600
C112—C113	1.386 (12)	O02—C07	1.397 (14)
C112—H11D	0.9300	O02—C06	1.423 (14)
C113—C114	1.344 (14)	C05—C06	1.432 (18)
C113—H11H	0.9300	C05—H05A	0.9600
C114—C115	1.344 (14)	C05—H05B	0.9600
C114—H11G	0.9300	C05—H05C	0.9600
C115—C116	1.397 (13)	C06—H06A	0.9700
C115—H11E	0.9300	C06—H06B	0.9700
C116—H11F	0.9300	C07—C08	1.439 (17)
C201—C206	1.378 (11)	C07—H07A	0.9700
C201—C202	1.390 (10)	C07—H07B	0.9700
C202—C203	1.397 (12)	C08—H08A	0.9600
C202—H20A	0.9300	C08—H08B	0.9600
C203—C204	1.378 (15)	C08—H08C	0.9600
C203—H20C	0.9300	N8—C32	1.138 (14)
C204—C205	1.344 (15)	C31—C32	1.475 (16)
C204—H20E	0.9300	C31—H31F	0.9600
C205—C206	1.398 (13)	C31—H31G	0.9600
C205—H20D	0.9300	C31—H31H	0.9600
C206—H20B	0.9300

S4—W1—S3	81.82 (7)	C201—C206—C205	119.9 (9)
S4—W1—S1	123.28 (7)	C201—C206—H20B	120.0
S3—W1—S1	81.43 (7)	C205—C206—H20B	120.0
S4—W1—S5	146.39 (8)	C212—C211—C216	117.9 (8)
S3—W1—S5	82.57 (8)	C212—C211—P2	118.9 (6)
S1—W1—S5	83.25 (7)	C216—C211—P2	122.8 (6)
S4—W1—S6	83.53 (7)	C211—C212—C213	121.0 (9)
S3—W1—S6	125.56 (8)	C211—C212—H21B	119.5
S1—W1—S6	146.59 (7)	C213—C212—H21B	119.5
S5—W1—S6	81.69 (6)	C214—C213—C212	120.1 (9)
S4—W1—S2	82.64 (7)	C214—C213—H21C	119.9
S3—W1—S2	145.32 (8)	C212—C213—H21C	119.9
S1—W1—S2	81.57 (6)	C213—C214—C215	120.4 (9)
S5—W1—S2	124.91 (8)	C213—C214—H21E	119.8
S6—W1—S2	82.94 (7)	C215—C214—H21E	119.8
N7—Cu1—P1	119.6 (2)	C214—C215—C216	119.7 (9)
N7—Cu1—P4	112.0 (2)	C214—C215—H21D	120.2
P1—Cu1—P4	125.33 (8)	C216—C215—H21D	120.2
N1—Cu2—N6ⁱ	96.3 (2)	C211—C216—C215	120.9 (9)
N1—Cu2—P2	117.52 (17)	C211—C216—H21A	119.6
N6ⁱ—Cu2—P2	100.64 (19)	C215—C216—H21A	119.6
N1—Cu2—P3	113.90 (17)	C306—C301—C302	117.0 (8)
N6ⁱ—Cu2—P3	109.72 (19)	C306—C301—P3	125.6 (6)
P2—Cu2—P3	115.54 (7)	C302—C301—P3	117.3 (6)
C4—S1—W1	108.8 (2)	C301—C302—C303	121.1 (9)
C5—S2—W1	108.8 (2)	C301—C302—H30C	119.5
C8—S3—W1	108.7 (3)	C303—C302—H30C	119.5
C9—S4—W1	108.7 (3)	C304—C303—C302	120.0 (10)
C13—S5—W1	108.5 (3)	C304—C303—H30B	120.0
C12—S6—W1	108.3 (3)	C302—C303—H30B	120.0
C101—P1—C2	100.6 (3)	C305—C304—C303	119.6 (10)
C101—P1—C111	104.5 (3)	C305—C304—H30A	120.2
C2—P1—C111	106.1 (3)	C303—C304—H30A	120.2
C101—P1—Cu1	111.0 (3)	C304—C305—C306	120.9 (10)
C2—P1—Cu1	114.5 (2)	C304—C305—H30E	119.6
C111—P1—Cu1	118.2 (3)	C306—C305—H30E	119.6
C211—P2—C201	103.8 (3)	C301—C306—C305	121.3 (10)
C211—P2—C2	102.8 (3)	C301—C306—H30D	119.3
C201—P2—C2	103.8 (3)	C305—C306—H30D	119.3
C211—P2—Cu2	111.2 (2)	C316—C311—C312	118.2 (7)
C201—P2—Cu2	116.6 (3)	C316—C311—P3	120.3 (6)
C2—P2—Cu2	117.0 (2)	C312—C311—P3	121.5 (6)
C301—P3—C311	103.2 (3)	C313—C312—C311	120.6 (8)
C301—P3—C1	102.3 (3)	C313—C312—H31B	119.7
C311—P3—C1	104.0 (3)	C311—C312—H31B	119.7
C301—P3—Cu2	113.3 (2)	C314—C313—C312	120.4 (9)
C311—P3—Cu2	116.4 (2)	C314—C313—H31C	119.8
C1—P3—Cu2	116.0 (2)	C312—C313—H31C	119.8
C1—P4—C411	104.8 (3)	C313—C314—C315	120.4 (9)
C1—P4—C401	104.1 (3)	C313—C314—H31D	119.8
C411—P4—C401	100.0 (3)	C315—C314—H31D	119.8
C1—P4—Cu1	114.1 (2)	C314—C315—C316	119.2 (9)
C411—P4—Cu1	121.0 (2)	C314—C315—H31E	120.4
C401—P4—Cu1	110.8 (2)	C316—C315—H31E	120.4
C3—N1—Cu2	166.9 (6)	C311—C316—C315	121.2 (8)
C11—N6—Cu2ⁱⁱ	164.4 (7)	C311—C316—H31A	119.4
C15—N7—Cu1	174.5 (7)	C315—C316—H31A	119.4
P4—C1—P3	113.8 (3)	C402—C401—C406	117.7 (7)
P4—C1—H1A	108.8	C402—C401—P4	125.2 (6)
P3—C1—H1A	108.8	C406—C401—P4	117.1 (6)
P4—C1—H1B	108.8	C403—C402—C401	121.5 (8)
P3—C1—H1B	108.8	C403—C402—H40A	119.3
H1A—C1—H1B	107.7	C401—C402—H40A	119.3
P1—C2—P2	116.1 (4)	C404—C403—C402	120.5 (9)
P1—C2—H2A	108.3	C404—C403—H40B	119.7
P2—C2—H2A	108.3	C402—C403—H40B	119.7
P1—C2—H2B	108.3	C403—C404—C405	119.3 (9)
P2—C2—H2B	108.3	C403—C404—H40D	120.3
H2A—C2—H2B	107.4	C405—C404—H40D	120.3
N1—C3—C4	175.1 (8)	C404—C405—C406	120.7 (9)
C5—C4—C3	122.2 (7)	C404—C405—H40E	119.7
C5—C4—S1	121.0 (5)	C406—C405—H40E	119.7
C3—C4—S1	116.8 (5)	C405—C406—C401	120.3 (9)
C4—C5—C6	121.9 (7)	C405—C406—H40C	119.9
C4—C5—S2	119.8 (6)	C401—C406—H40C	119.9
C6—C5—S2	118.3 (6)	C416—C411—C412	117.9 (7)
N2—C6—C5	178.6 (11)	C416—C411—P4	121.3 (6)
N3—C7—C8	177.2 (12)	C412—C411—P4	120.8 (6)
C9—C8—C7	122.6 (8)	C413—C412—C411	119.8 (8)
C9—C8—S3	120.2 (6)	C413—C412—H41E	120.1
C7—C8—S3	117.2 (7)	C411—C412—H41E	120.1
C8—C9—C10	122.6 (8)	C414—C413—C412	121.5 (9)
C8—C9—S4	120.4 (6)	C414—C413—H41C	119.2
C10—C9—S4	117.0 (6)	C412—C413—H41C	119.2
N4—C10—C9	175.2 (10)	C415—C414—C413	119.1 (9)
N6—C11—C12	178.6 (9)	C415—C414—H41B	120.5
C13—C12—C11	120.1 (7)	C413—C414—H41B	120.5
C13—C12—S6	120.9 (6)	C414—C415—C416	120.2 (9)
C11—C12—S6	119.0 (6)	C414—C415—H41D	119.9
C12—C13—C14	121.4 (7)	C416—C415—H41D	119.9
C12—C13—S5	120.5 (6)	C411—C416—C415	121.5 (8)
C14—C13—S5	118.0 (6)	C411—C416—H41A	119.3
N5—C14—C13	179.2 (12)	C415—C416—H41A	119.3
N7—C15—C16	178.7 (10)	C03—O01—C01	111.1 (10)
C15—C16—H16A	109.5	O01—C01—C02	106.1 (10)
C15—C16—H16B	109.5	O01—C01—H01A	110.5
H16A—C16—H16B	109.5	C02—C01—H01A	110.5
C15—C16—H16C	109.5	O01—C01—H01B	110.5
H16A—C16—H16C	109.5	C02—C01—H01B	110.5
H16B—C16—H16C	109.5	H01A—C01—H01B	108.7
C106—C101—C102	116.6 (8)	C01—C02—H02A	109.5
C106—C101—P1	119.1 (6)	C01—C02—H02B	109.5
C102—C101—P1	124.2 (6)	H02A—C02—H02B	109.5
C101—C102—C103	122.3 (9)	C01—C02—H02C	109.5
C101—C102—H10A	118.8	H02A—C02—H02C	109.5
C103—C102—H10A	118.8	H02B—C02—H02C	109.5
C104—C103—C102	119.6 (10)	O01—C03—C04	108.1 (10)
C104—C103—H10B	120.2	O01—C03—H03A	110.1
C102—C103—H10B	120.2	C04—C03—H03A	110.1
C103—C104—C105	120.1 (10)	O01—C03—H03B	110.1
C103—C104—H10D	120.0	C04—C03—H03B	110.1
C105—C104—H10D	120.0	H03A—C03—H03B	108.4
C104—C105—C106	119.6 (10)	C03—C04—H04A	109.5
C104—C105—H10E	120.2	C03—C04—H04B	109.5
C106—C105—H10E	120.2	H04A—C04—H04B	109.5
C101—C106—C105	121.7 (10)	C03—C04—H04C	109.5
C101—C106—H10C	119.2	H04A—C04—H04C	109.5
C105—C106—H10C	119.2	H04B—C04—H04C	109.5
C116—C111—C112	117.8 (8)	C07—O02—C06	115.5 (11)
C116—C111—P1	118.5 (6)	C06—C05—H05A	109.5
C112—C111—P1	123.6 (6)	C06—C05—H05B	109.5
C111—C112—C113	120.4 (9)	H05A—C05—H05B	109.5
C111—C112—H11D	119.8	C06—C05—H05C	109.5
C113—C112—H11D	119.8	H05A—C05—H05C	109.5
C114—C113—C112	120.4 (10)	H05B—C05—H05C	109.5
C114—C113—H11H	119.8	O02—C06—C05	110.8 (13)
C112—C113—H11H	119.8	O02—C06—H06A	109.5
C115—C114—C113	120.8 (10)	C05—C06—H06A	109.5
C115—C114—H11G	119.6	O02—C06—H06B	109.5
C113—C114—H11G	119.6	C05—C06—H06B	109.5
C114—C115—C116	119.4 (10)	H06A—C06—H06B	108.1
C114—C115—H11E	120.3	O02—C07—C08	112.0 (11)
C116—C115—H11E	120.3	O02—C07—H07A	109.2
C111—C116—C115	121.1 (9)	C08—C07—H07A	109.2
C111—C116—H11F	119.4	O02—C07—H07B	109.2
C115—C116—H11F	119.4	C08—C07—H07B	109.2
C206—C201—C202	119.1 (7)	H07A—C07—H07B	107.9
C206—C201—P2	119.1 (6)	C07—C08—H08A	109.5
C202—C201—P2	121.8 (6)	C07—C08—H08B	109.5
C201—C202—C203	119.9 (9)	H08A—C08—H08B	109.5
C201—C202—H20A	120.0	C07—C08—H08C	109.5
C203—C202—H20A	120.0	H08A—C08—H08C	109.5
C204—C203—C202	119.9 (10)	H08B—C08—H08C	109.5
C204—C203—H20C	120.0	C32—C31—H31F	109.5
C202—C203—H20C	120.0	C32—C31—H31G	109.5
C205—C204—C203	120.2 (10)	H31F—C31—H31G	109.5
C205—C204—H20E	119.9	C32—C31—H31H	109.5
C203—C204—H20E	119.9	H31F—C31—H31H	109.5
C204—C205—C206	121.0 (11)	H31G—C31—H31H	109.5
C204—C205—H20D	119.5	N8—C32—C31	179.2 (13)
C206—C205—H20D	119.5

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

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catena-Poly[[[acetonitrilebis[μ-bis­(diphenyl­phosphino)­methane-κ2P:P′]dicopper(I)]-μ-(1,2-dicyano­ethyl­ene-1,2-dithiol­ato)-[(1,2-dicyano­ethyl­ene-1,2-dithiol­ato)­tungstate(IV)]-μ-(1,2-dicyano­ethyl­ene-1,2-dithiol­ato)] diethyl ether disolvate acetonitrile solvate]

Supporting information

Key indicators

checkCIF/PLATON results

catena-Poly[[[acetonitrilebis[μ-bis(diphenylphosphino)methane-κ²P:P′]dicopper(I)]-μ-(1,2-dicyanoethylene-1,2-dithiolato)-[(1,2-dicyanoethylene-1,2-dithiolato)tungstate(IV)]-μ-(1,2-dicyanoethylene-1,2-dithiolato)] diethyl ether disolvate acetonitrile solvate]