Tetra-μ2-cyano-κ8C:N-μ2-2,6-dimethyl­pyrazine-κ2N:N′-hexa­kis(2,6-dimethyl­pyrazine-κN)octa-μ2-thio­cyanato-κ16N:S-deca­copper(I,II)

Jess, I.; Näther, C.

doi:10.1107/S1600536806005770

Tetra-μ₂-cyano-κ⁸C:N-μ₂-2,6-dimethylpyrazine-κ²N:N′-hexakis(2,6-dimethylpyrazine-κN)octa-μ₂-thiocyanato-κ¹⁶N:S-decacopper(I,II)

The asymmetric unit of the title compound [Cu₈^ICu₂^II(CN)₄(NCS)₈(C₆H₈N₂)₇], consists of six crystallographically independent Cu atoms, four thiocyanate anions and two cyanide anions, as well as four 2,6-dimethylpyrazine ligands. Two of the six Cu atoms and one of the four 2,6-dimethylpyrazine ligands are located on centres of inversion. The ligand on a special position is therefore disordered due to symmetry. Altogether there are two copper(II) and eight copper(I) cations in the formula unit. The copper(II) cations are each coordinated by four N atoms within a slightly distorted square-planar coordination. The copper(I) cations, on the other hand, are coordinated by four ligands or anions within distorted tetrahedra. From this arrangement, a three-dimensional coordination network is formed.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806005770/bt2007sup1.cif Contains datablocks I, global
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536806005770/bt2007Isup2.hkl Contains datablock I

CCDC reference: 604972

checkCIF report

Key indicators

Single-crystal X-ray study
T = 220 K
Mean (C-C) = 0.015 Å
Disorder in main residue
R factor = 0.059
wR factor = 0.126
Data-to-parameter ratio = 13.9

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT220_ALERT_2_A Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       4.94 Ratio

Author Response: Some of the atoms shows relatively large displacement parameters because of some disorder which cannot be resolved successfully. In addition, the data are of low quality because of the very low diffraction power of this small crystal. I have used practically the maximum measuring time of about 6 days and I also tried to get larger crystals but without any success Therefore, there is nothing what I can do in addition. However, I am absolutely sure that the structure model is correct. I have everything explained in detail in the experiment part and I think Michael Bolte the co-editor will take care of it.


Alert level B
PLAT220_ALERT_2_B Large Non-Solvent    N     Ueq(max)/Ueq(min) ...       3.62 Ratio

PLAT341_ALERT_3_B Low Bond Precision on C-C bonds (x 1000) Ang ...         16

Alert level C
ABSTM02_ALERT_3_C  The ratio of Tmax/Tmin expected RT(exp) is > 1.10
            Absorption corrections should be applied.
            Tmin and Tmax expected:      0.788     0.912
            RT(exp) =      1.158
RINTA01_ALERT_3_C  The value of Rint is greater than 0.10
            Rint given   0.106
PLAT020_ALERT_3_C The value of Rint is greater than 0.10 .........       0.11
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         49 Perc.
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       2.00 Ratio
PLAT057_ALERT_3_C Correction for Absorption Required   RT(exp) ...       1.17
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT213_ALERT_2_C Atom N31     has ADP max/min Ratio .............       3.40 prolat
PLAT213_ALERT_2_C Atom C16     has ADP max/min Ratio .............       3.90 prolat
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.09 Ratio
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        N31
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C34
PLAT301_ALERT_3_C Main Residue  Disorder .........................       2.00 Perc.
PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of .      35.00 A   3  
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......       5.40 Deg.
              C35  -C31  -H31     1.555   1.555   1.555
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      12.40 Deg.
              C36  -C34  -H34     1.555   1.555   1.555

   1 ALERT level A = In general: serious problem
   2 ALERT level B = Potentially serious problem
  18 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

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

Computing details top

Data collection: IPDS Program Package (Stoe & Cie, 1998); cell refinement: IPDS Program Package; data reduction: IPDS Program Package; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: XP in SHELXTL (Bruker, 1998); software used to prepare material for publication: CIFTAB in SHELXTL.

Tetra-µ₂-cyano-κ⁸C:N-µ₂-2,5-dimethylpyrazine-κ²N:N'- hexakis(2,5-dimethylpyrazine-κN)octa-µ₂-thiocyanato-κ¹⁶N:S- decacopper(I,II) top

Crystal data top

[Cu₁₀(CN)₄(NCS)₈(C₆H₈N₂)₇]	Z = 1
M_r = 1961.13	F(000) = 980
Triclinic, P1	D_x = 1.749 Mg m⁻³
a = 10.2406 (7) Å	Mo Kα radiation, λ = 0.71073 Å
b = 13.2211 (12) Å	Cell parameters from 8000 reflections
c = 14.7809 (14) Å	θ = 3–50°
α = 97.837 (11)°	µ = 3.07 mm⁻¹
β = 109.463 (10)°	T = 220 K
γ = 92.057 (10)°	Plate, red
V = 1862.1 (3) Å³	0.08 × 0.08 × 0.03 mm

Data collection top

Stoe IPDS-1 diffractometer	3143 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	R_int = 0.107
Graphite monochromator	θ_max = 25.0°, θ_min = 2.3°
φ scans	h = −12→12
11439 measured reflections	k = −15→15
6451 independent reflections	l = −17→17

Refinement top

Refinement on F²	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F² > 2σ(F²)] = 0.059	H-atom parameters constrained
wR(F²) = 0.126	w = 1/[σ²(F_o²) + (0.0393P)²] where P = (F_o² + 2F_c²)/3
S = 0.89	(Δ/σ)_max < 0.001
6451 reflections	Δρ_max = 0.85 e Å⁻³
463 parameters	Δρ_min = −0.80 e Å⁻³
0 restraints	Extinction correction: SHELXL97, Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0015 (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	Occ. (<1)
Cu1	1.32809 (12)	0.82344 (8)	0.86389 (9)	0.0295 (3)
Cu2	1.0000	1.0000	1.0000	0.0280 (4)
Cu3	0.5000	0.5000	1.0000	0.0292 (4)
Cu4	0.81470 (12)	0.63714 (9)	0.84493 (10)	0.0360 (4)
Cu5	0.75140 (13)	0.76216 (9)	0.68637 (10)	0.0360 (4)
Cu6	1.25651 (14)	0.64163 (10)	0.69705 (13)	0.0529 (5)
S1	0.6927 (3)	0.58009 (18)	0.6656 (2)	0.0317 (6)
C61	0.5349 (9)	0.5913 (6)	0.6719 (7)	0.023 (2)
N61	0.4274 (8)	0.6012 (6)	0.6781 (6)	0.035 (2)
S2	0.7838 (2)	0.83457 (17)	0.84905 (18)	0.0259 (6)
C62	0.6244 (10)	0.8345 (6)	0.8586 (7)	0.022 (2)
N62	0.5159 (8)	0.8331 (5)	0.8665 (6)	0.0241 (18)
S3	1.2838 (2)	0.63054 (16)	0.86398 (18)	0.0242 (5)
C63	1.1246 (9)	0.6344 (6)	0.8662 (6)	0.0174 (19)
N63	1.0104 (8)	0.6367 (5)	0.8639 (6)	0.0265 (19)
S4	1.2072 (2)	0.81454 (17)	0.68200 (19)	0.0283 (6)
C64	1.0432 (10)	0.7994 (6)	0.6749 (7)	0.022 (2)
N64	0.9268 (9)	0.7888 (6)	0.6687 (6)	0.032 (2)
N51	0.6187 (8)	0.5499 (5)	0.9367 (6)	0.0278 (19)
C51	0.6969 (10)	0.5838 (6)	0.9038 (7)	0.025 (2)
N52	1.1375 (8)	0.9284 (5)	0.9628 (6)	0.030 (2)
C52	1.2154 (10)	0.8876 (6)	0.9283 (7)	0.027 (2)
N1	0.3530 (9)	0.8737 (6)	0.4523 (7)	0.040 (2)
C1	0.4034 (11)	0.9251 (7)	0.5433 (8)	0.031 (2)
C2	0.5150 (10)	0.8927 (7)	0.6121 (8)	0.032 (2)
H2	0.5524	0.9331	0.6738	0.038*
N2	0.5728 (8)	0.8048 (6)	0.5943 (7)	0.035 (2)
C3	0.5165 (10)	0.7517 (7)	0.5041 (8)	0.036 (3)
H3	0.5518	0.6895	0.4886	0.043*
C4	0.4092 (11)	0.7855 (7)	0.4337 (8)	0.040 (3)
C5	0.3368 (12)	1.0190 (7)	0.5670 (9)	0.049 (3)
H5A	0.3019	1.0518	0.5098	0.073*
H5B	0.4048	1.0661	0.6187	0.073*
H5C	0.2603	1.0000	0.5880	0.073*
C6	0.3574 (13)	0.7308 (10)	0.3292 (9)	0.068 (4)
H6A	0.2657	0.7508	0.2955	0.102*
H6B	0.3523	0.6573	0.3285	0.102*
H6C	0.4210	0.7493	0.2969	0.102*
N11	0.3282 (9)	0.2057 (5)	0.7503 (6)	0.033 (2)
C11	0.3219 (11)	0.2994 (7)	0.7260 (8)	0.032 (2)
C12	0.3771 (10)	0.3840 (7)	0.7980 (7)	0.030 (2)
H12	0.3777	0.4493	0.7796	0.036*
N12	0.4308 (8)	0.3760 (5)	0.8949 (6)	0.0264 (19)
C13	0.4296 (10)	0.2803 (6)	0.9162 (7)	0.028 (2)
H13	0.4609	0.2711	0.9817	0.034*
C14	0.3838 (11)	0.1949 (7)	0.8447 (8)	0.034 (2)
C15	0.2525 (14)	0.3118 (8)	0.6233 (8)	0.054 (3)
H15A	0.2910	0.2679	0.5822	0.080*
H15B	0.2676	0.3826	0.6160	0.080*
H15C	0.1536	0.2930	0.6044	0.080*
C16	0.3918 (14)	0.0884 (7)	0.8685 (8)	0.056 (4)
H16A	0.3234	0.0421	0.8163	0.084*
H16B	0.3731	0.0869	0.9285	0.084*
H16C	0.4841	0.0671	0.8761	0.084*
N21	0.9976 (8)	1.2235 (5)	0.7660 (6)	0.0292 (19)
C21	0.9937 (9)	1.1217 (7)	0.7428 (7)	0.026 (2)
C22	0.9914 (9)	1.0580 (6)	0.8085 (7)	0.028 (2)
H22	0.9925	0.9872	0.7904	0.033*
N22	0.9876 (8)	1.0923 (5)	0.8974 (6)	0.0266 (19)
C23	0.9874 (10)	1.1948 (6)	0.9191 (7)	0.029 (2)
H23	0.9834	1.2229	0.9800	0.035*
C24	0.9928 (10)	1.2598 (6)	0.8537 (7)	0.026 (2)
C25	0.9993 (11)	1.0791 (7)	0.6442 (7)	0.036 (3)
H25A	0.9328	1.1104	0.5947	0.055*
H25B	0.9766	1.0055	0.6315	0.055*
H25C	1.0921	1.0940	0.6430	0.055*
C26	0.9936 (13)	1.3729 (7)	0.8803 (9)	0.053 (3)
H26A	1.0732	1.4070	0.8718	0.079*
H26B	0.9993	1.3890	0.9476	0.079*
H26C	0.9088	1.3961	0.8388	0.079*
N31	1.0976 (11)	0.5584 (8)	0.5851 (13)	0.088 (5)
C31	1.0068 (14)	0.4883 (10)	0.5922 (15)	0.071 (5)
H31	1.0088	0.4773	0.6542	0.086*	0.50
C34	1.0924 (15)	0.5700 (10)	0.4908 (17)	0.085 (6)
H34	1.1566	0.6178	0.4829	0.102*	0.50
C35	1.001 (2)	0.4688 (17)	0.6646 (18)	0.050 (7)	0.50
H35A	1.0892	0.4471	0.7024	0.075*	0.50
H35B	0.9281	0.4141	0.6513	0.075*	0.50
H35C	0.9797	0.5291	0.7009	0.075*	0.50
C36	1.176 (2)	0.6359 (14)	0.4564 (17)	0.045 (6)	0.50
H36A	1.1989	0.7022	0.4977	0.068*	0.50
H36B	1.1246	0.6446	0.3902	0.068*	0.50
H36C	1.2614	0.6048	0.4583	0.068*	0.50

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Cu1	0.0207 (7)	0.0265 (6)	0.0476 (9)	0.0048 (5)	0.0215 (6)	0.0015 (6)
Cu2	0.0384 (11)	0.0196 (8)	0.0432 (11)	0.0163 (7)	0.0317 (9)	0.0139 (8)
Cu3	0.0362 (11)	0.0190 (8)	0.0408 (11)	−0.0105 (7)	0.0282 (9)	−0.0028 (8)
Cu4	0.0211 (7)	0.0486 (8)	0.0504 (9)	0.0040 (6)	0.0225 (7)	0.0218 (7)
Cu5	0.0204 (7)	0.0464 (8)	0.0469 (9)	0.0048 (6)	0.0164 (6)	0.0136 (7)
Cu6	0.0365 (9)	0.0406 (8)	0.1032 (13)	0.0157 (6)	0.0456 (9)	0.0251 (8)
S1	0.0234 (14)	0.0329 (14)	0.0460 (17)	0.0093 (11)	0.0206 (13)	0.0066 (12)
C61	0.018 (5)	0.019 (5)	0.032 (6)	0.003 (4)	0.007 (4)	0.010 (4)
N61	0.025 (5)	0.042 (5)	0.042 (6)	0.006 (4)	0.016 (4)	0.016 (4)
S2	0.0147 (12)	0.0260 (12)	0.0407 (16)	0.0007 (9)	0.0148 (12)	0.0043 (11)
C62	0.029 (6)	0.015 (4)	0.027 (6)	0.004 (4)	0.015 (5)	0.002 (4)
N62	0.018 (4)	0.024 (4)	0.038 (5)	0.005 (3)	0.018 (4)	0.006 (4)
S3	0.0150 (13)	0.0178 (11)	0.0421 (16)	0.0033 (9)	0.0126 (11)	0.0043 (10)
C63	0.015 (5)	0.014 (4)	0.027 (6)	0.000 (3)	0.012 (4)	0.005 (4)
N63	0.022 (5)	0.022 (4)	0.043 (5)	0.004 (3)	0.017 (4)	0.013 (4)
S4	0.0221 (14)	0.0272 (12)	0.0423 (16)	0.0026 (10)	0.0176 (12)	0.0111 (11)
C64	0.023 (6)	0.020 (5)	0.028 (6)	0.001 (4)	0.013 (5)	0.009 (4)
N64	0.035 (5)	0.036 (5)	0.037 (5)	0.012 (4)	0.022 (4)	0.020 (4)
N51	0.026 (5)	0.026 (4)	0.035 (5)	−0.003 (3)	0.014 (4)	0.008 (4)
C51	0.026 (5)	0.021 (5)	0.027 (6)	0.000 (4)	0.011 (5)	0.002 (4)
N52	0.043 (5)	0.020 (4)	0.038 (5)	0.011 (4)	0.025 (5)	0.013 (4)
C52	0.034 (6)	0.022 (5)	0.029 (6)	0.008 (4)	0.013 (5)	0.009 (4)
N1	0.030 (5)	0.036 (5)	0.051 (6)	0.009 (4)	0.009 (5)	0.010 (5)
C1	0.036 (6)	0.027 (5)	0.040 (7)	0.001 (5)	0.022 (5)	0.011 (5)
C2	0.030 (6)	0.024 (5)	0.046 (7)	0.000 (4)	0.019 (5)	0.010 (5)
N2	0.020 (5)	0.036 (5)	0.057 (6)	0.009 (4)	0.020 (5)	0.017 (4)
C3	0.028 (6)	0.023 (5)	0.055 (8)	0.007 (4)	0.013 (6)	0.001 (5)
C4	0.035 (7)	0.032 (6)	0.047 (8)	0.005 (5)	0.008 (6)	0.000 (5)
C5	0.063 (8)	0.029 (6)	0.069 (9)	0.019 (5)	0.042 (7)	0.007 (5)
C6	0.047 (8)	0.076 (9)	0.057 (9)	0.029 (7)	−0.007 (7)	−0.017 (7)
N11	0.036 (5)	0.025 (4)	0.036 (6)	0.007 (4)	0.010 (4)	0.006 (4)
C11	0.037 (6)	0.026 (5)	0.040 (7)	0.012 (4)	0.020 (5)	0.010 (5)
C12	0.034 (6)	0.025 (5)	0.041 (7)	0.004 (4)	0.023 (5)	0.010 (5)
N12	0.030 (5)	0.020 (4)	0.036 (5)	−0.001 (3)	0.022 (4)	0.001 (3)
C13	0.034 (6)	0.018 (5)	0.037 (6)	−0.001 (4)	0.018 (5)	0.005 (4)
C14	0.036 (6)	0.024 (5)	0.037 (7)	0.001 (4)	0.004 (5)	0.008 (5)
C15	0.081 (10)	0.037 (6)	0.053 (8)	0.018 (6)	0.033 (7)	0.009 (6)
C16	0.102 (11)	0.012 (5)	0.043 (7)	−0.010 (6)	0.009 (7)	0.011 (5)
N21	0.034 (5)	0.024 (4)	0.030 (5)	0.008 (4)	0.009 (4)	0.010 (4)
C21	0.024 (5)	0.030 (5)	0.026 (6)	0.001 (4)	0.011 (5)	0.007 (4)
C22	0.027 (6)	0.017 (5)	0.042 (6)	0.006 (4)	0.017 (5)	−0.001 (4)
N22	0.029 (5)	0.014 (4)	0.042 (5)	0.007 (3)	0.020 (4)	0.001 (3)
C23	0.031 (6)	0.024 (5)	0.038 (6)	0.004 (4)	0.017 (5)	0.008 (4)
C24	0.037 (6)	0.018 (5)	0.026 (6)	0.006 (4)	0.012 (5)	0.008 (4)
C25	0.036 (6)	0.034 (6)	0.042 (7)	0.006 (5)	0.014 (5)	0.014 (5)
C26	0.074 (9)	0.022 (5)	0.058 (8)	0.013 (5)	0.012 (7)	0.018 (5)
N31	0.030 (6)	0.044 (6)	0.203 (16)	0.006 (5)	0.048 (9)	0.048 (8)
C31	0.042 (9)	0.062 (9)	0.147 (16)	0.031 (7)	0.059 (10)	0.063 (10)
C34	0.035 (9)	0.046 (8)	0.18 (2)	0.007 (7)	0.039 (11)	0.045 (11)
C35	0.029 (14)	0.047 (14)	0.065 (18)	−0.018 (11)	0.017 (13)	−0.018 (13)
C36	0.070 (17)	0.030 (11)	0.058 (16)	0.014 (11)	0.048 (14)	0.011 (11)

Geometric parameters (Å, º) top

Cu1—C52	1.881 (9)	C6—H6A	0.9700
Cu1—N62ⁱ	1.910 (7)	C6—H6B	0.9700
Cu1—S4	2.542 (3)	C6—H6C	0.9700
Cu1—S3	2.574 (2)	N11—C11	1.334 (11)
Cu2—N52ⁱⁱ	1.910 (8)	N11—C14	1.350 (12)
Cu2—N52	1.910 (8)	C11—C12	1.390 (13)
Cu2—N22ⁱⁱ	2.047 (7)	C11—C15	1.480 (14)
Cu2—N22	2.047 (7)	C12—N12	1.372 (12)
Cu3—N51ⁱⁱⁱ	1.912 (7)	C12—H12	0.9400
Cu3—N51	1.912 (7)	N12—C13	1.346 (10)
Cu3—N12ⁱⁱⁱ	2.023 (7)	C13—C14	1.384 (12)
Cu3—N12	2.023 (7)	C13—H13	0.9400
Cu4—C51	1.875 (9)	C14—C16	1.496 (12)
Cu4—N63	1.929 (8)	C15—H15A	0.9700
Cu4—S1	2.517 (3)	C15—H15B	0.9700
Cu4—S2	2.636 (3)	C15—H15C	0.9700
Cu4—Cu5	2.9609 (18)	C16—H16A	0.9700
Cu5—N64	1.927 (8)	C16—H16B	0.9700
Cu5—N2	2.035 (8)	C16—H16C	0.9700
Cu5—S2	2.372 (3)	N21—C24	1.337 (11)
Cu5—S1	2.413 (3)	N21—C21	1.339 (11)
Cu6—N61ⁱ	1.945 (8)	C21—C22	1.375 (12)
Cu6—N31	2.044 (14)	C21—C25	1.509 (13)
Cu6—S4	2.383 (3)	C22—N22	1.344 (11)
Cu6—S3	2.414 (3)	C22—H22	0.9400
S1—C61	1.659 (9)	N22—C23	1.350 (10)
C61—N61	1.145 (11)	C23—C24	1.391 (12)
N61—Cu6^iv	1.945 (8)	C23—H23	0.9400
S2—C62	1.684 (9)	C24—C26	1.493 (12)
C62—N62	1.155 (10)	C25—H25A	0.9700
N62—Cu1^iv	1.910 (7)	C25—H25B	0.9700
S3—C63	1.644 (8)	C25—H25C	0.9700
C63—N63	1.160 (10)	C26—H26A	0.9700
S4—C64	1.651 (9)	C26—H26B	0.9700
C64—N64	1.166 (11)	C26—H26C	0.9700
N51—C51	1.171 (10)	N31—C31	1.329 (14)
N52—C52	1.190 (11)	N31—C34	1.41 (2)
N1—C1	1.342 (13)	C31—C35	1.15 (3)
N1—C4	1.355 (12)	C31—C34^v	1.41 (2)
C1—C2	1.380 (13)	C31—H31	0.9400
C1—C5	1.493 (13)	C34—C31^v	1.41 (2)
C2—N2	1.356 (11)	C34—C36	1.45 (2)
C2—H2	0.9400	C34—H34	0.9400
N2—C3	1.344 (13)	C35—H35A	0.9700
C3—C4	1.374 (14)	C35—H35B	0.9700
C3—H3	0.9400	C35—H35C	0.9700
C4—C6	1.521 (15)	C36—H36A	0.9700
C5—H5A	0.9700	C36—H36B	0.9700
C5—H5B	0.9700	C36—H36C	0.9700
C5—H5C	0.9700

C52—Cu1—N62ⁱ	139.8 (4)	C1—C5—H5C	109.5
C52—Cu1—S4	108.5 (3)	H5A—C5—H5C	109.5
N62ⁱ—Cu1—S4	98.3 (2)	H5B—C5—H5C	109.5
C52—Cu1—S3	105.0 (3)	C4—C6—H6A	109.5
N62ⁱ—Cu1—S3	101.8 (2)	C4—C6—H6B	109.5
S4—Cu1—S3	95.25 (9)	H6A—C6—H6B	109.5
N52ⁱⁱ—Cu2—N52	180.0 (5)	C4—C6—H6C	109.5
N52ⁱⁱ—Cu2—N22ⁱⁱ	89.7 (3)	H6A—C6—H6C	109.5
N52—Cu2—N22ⁱⁱ	90.3 (3)	H6B—C6—H6C	109.5
N52ⁱⁱ—Cu2—N22	90.3 (3)	C11—N11—C14	119.4 (8)
N52—Cu2—N22	89.7 (3)	N11—C11—C12	119.4 (9)
N22ⁱⁱ—Cu2—N22	180.000 (3)	N11—C11—C15	119.5 (9)
N51ⁱⁱⁱ—Cu3—N51	180.000 (2)	C12—C11—C15	121.1 (8)
N51ⁱⁱⁱ—Cu3—N12ⁱⁱⁱ	90.9 (3)	N12—C12—C11	122.7 (8)
N51—Cu3—N12ⁱⁱⁱ	89.1 (3)	N12—C12—H12	118.7
N51ⁱⁱⁱ—Cu3—N12	89.1 (3)	C11—C12—H12	118.7
N51—Cu3—N12	90.9 (3)	C13—N12—C12	115.7 (8)
N12ⁱⁱⁱ—Cu3—N12	180.000 (1)	C13—N12—Cu3	121.7 (7)
C51—Cu4—N63	135.0 (4)	C12—N12—Cu3	122.5 (6)
C51—Cu4—S1	104.7 (3)	N12—C13—C14	122.1 (9)
N63—Cu4—S1	105.2 (2)	N12—C13—H13	118.9
C51—Cu4—S2	107.5 (3)	C14—C13—H13	118.9
N63—Cu4—S2	100.6 (2)	N11—C14—C13	120.5 (8)
S1—Cu4—S2	98.06 (9)	N11—C14—C16	117.6 (9)
C51—Cu4—Cu5	129.7 (3)	C13—C14—C16	121.9 (9)
N63—Cu4—Cu5	95.3 (2)	C11—C15—H15A	109.5
S1—Cu4—Cu5	51.49 (6)	C11—C15—H15B	109.5
S2—Cu4—Cu5	49.74 (6)	H15A—C15—H15B	109.5
N64—Cu5—N2	120.8 (3)	C11—C15—H15C	109.5
N64—Cu5—S2	105.9 (3)	H15A—C15—H15C	109.5
N2—Cu5—S2	110.3 (3)	H15B—C15—H15C	109.5
N64—Cu5—S1	110.4 (2)	C14—C16—H16A	109.5
N2—Cu5—S1	100.2 (2)	C14—C16—H16B	109.5
S2—Cu5—S1	108.83 (10)	H16A—C16—H16B	109.5
N64—Cu5—Cu4	104.7 (2)	C14—C16—H16C	109.5
N2—Cu5—Cu4	134.1 (2)	H16A—C16—H16C	109.5
S2—Cu5—Cu4	57.99 (7)	H16B—C16—H16C	109.5
S1—Cu5—Cu4	54.71 (8)	C24—N21—C21	117.2 (7)
N61ⁱ—Cu6—N31	106.2 (4)	N21—C21—C22	121.0 (8)
N61ⁱ—Cu6—S4	116.2 (2)	N21—C21—C25	118.1 (8)
N31—Cu6—S4	103.4 (3)	C22—C21—C25	120.9 (8)
N61ⁱ—Cu6—S3	106.7 (3)	N22—C22—C21	123.1 (8)
N31—Cu6—S3	121.0 (4)	N22—C22—H22	118.4
S4—Cu6—S3	103.97 (10)	C21—C22—H22	118.4
C61—S1—Cu5	94.9 (3)	C22—N22—C23	115.5 (8)
C61—S1—Cu4	94.1 (3)	C22—N22—Cu2	123.5 (6)
Cu5—S1—Cu4	73.79 (8)	C23—N22—Cu2	120.7 (6)
N61—C61—S1	178.2 (9)	N22—C23—C24	121.7 (9)
C61—N61—Cu6^iv	170.5 (8)	N22—C23—H23	119.2
C62—S2—Cu5	106.4 (3)	C24—C23—H23	119.2
C62—S2—Cu4	98.7 (3)	N21—C24—C23	121.5 (8)
Cu5—S2—Cu4	72.28 (8)	N21—C24—C26	118.2 (8)
N62—C62—S2	178.6 (9)	C23—C24—C26	120.3 (8)
C62—N62—Cu1^iv	173.3 (8)	C21—C25—H25A	109.5
C63—S3—Cu6	103.6 (3)	C21—C25—H25B	109.5
C63—S3—Cu1	96.5 (3)	H25A—C25—H25B	109.5
Cu6—S3—Cu1	75.99 (8)	C21—C25—H25C	109.5
N63—C63—S3	177.3 (9)	H25A—C25—H25C	109.5
C63—N63—Cu4	173.8 (8)	H25B—C25—H25C	109.5
C64—S4—Cu6	96.3 (3)	C24—C26—H26A	109.5
C64—S4—Cu1	100.3 (3)	C24—C26—H26B	109.5
Cu6—S4—Cu1	77.18 (9)	H26A—C26—H26B	109.5
N64—C64—S4	179.2 (9)	C24—C26—H26C	109.5
C64—N64—Cu5	167.3 (8)	H26A—C26—H26C	109.5
C51—N51—Cu3	175.6 (8)	H26B—C26—H26C	109.5
N51—C51—Cu4	177.0 (8)	C31—N31—C34	116.9 (14)
C52—N52—Cu2	171.6 (8)	C31—N31—Cu6	126.6 (15)
N52—C52—Cu1	175.4 (9)	C34—N31—Cu6	116.2 (9)
C1—N1—C4	117.1 (9)	C35—C31—N31	125 (2)
N1—C1—C2	120.7 (9)	C35—C31—C34^v	113.8 (17)
N1—C1—C5	118.0 (10)	N31—C31—C34^v	121.6 (16)
C2—C1—C5	121.3 (10)	C35—C31—H31	5.4
N2—C2—C1	122.6 (10)	N31—C31—H31	119.2
N2—C2—H2	118.7	C34^v—C31—H31	119.2
C1—C2—H2	118.7	N31—C34—C31^v	121.5 (12)
C3—N2—C2	115.8 (9)	N31—C34—C36	131.7 (18)
C3—N2—Cu5	119.3 (6)	C31^v—C34—C36	106.8 (19)
C2—N2—Cu5	124.3 (7)	N31—C34—H34	119.3
N2—C3—C4	122.1 (9)	C31^v—C34—H34	119.3
N2—C3—H3	118.9	C36—C34—H34	12.4
C4—C3—H3	118.9	C31—C35—H35A	109.5
N1—C4—C3	121.5 (10)	C31—C35—H35B	109.5
N1—C4—C6	116.8 (10)	C31—C35—H35C	109.5
C3—C4—C6	121.4 (9)	C34—C36—H36A	109.5
C1—C5—H5A	109.5	C34—C36—H36B	109.5
C1—C5—H5B	109.5	C34—C36—H36C	109.5
H5A—C5—H5B	109.5

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

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Tetra-μ2-cyano-κ8C:N-μ2-2,6-dimethyl­pyrazine-κ2N:N′-hexa­kis(2,6-dimethyl­pyrazine-κN)octa-μ2-thio­cyanato-κ16N:S-deca­copper(I,II)

Supporting information

Key indicators

checkCIF/PLATON results

Tetra-μ₂-cyano-κ⁸C:N-μ₂-2,6-dimethylpyrazine-κ²N:N′-hexakis(2,6-dimethylpyrazine-κN)octa-μ₂-thiocyanato-κ¹⁶N:S-decacopper(I,II)