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Racemic crystals of the title species, (1S/R,2S′/R)-bis­[(1S,2S)-trans-3,3′-(1,2-cyclo­hexane­diyldi­nitrilo)­bis(2-methyl­propane-2-thiolato)]-1κ4N1,N1′,S1,S1′;2κ4N2,N2′,S2,S2′;3κ2S1,S2′;4κ2S1′,S2;5κ2S1′,S2′-tri­chloro-3κCl,4κCl,5κCl-tricopper(I)­dinickel(II) bis­(di­methyl­form­amide) solvate, contain C-centered columns of chiral pentanuclear [Ni2(C14H28N2S2)2{CuICl}3] complexes (R,R and S,S) hydrogen bonded to di­methyl­form­amide (C3H7NO) solvent mol­ecules. Intercluster C—H...Cl hydrogen bonds link the complexes to form layers parallel to the ab plane. In each complex, three CuICl groups bridge four S(thiol­ate) atoms of two Ni(C14H28N2S2) units, forming an Ni2Cu3S4 core with the connectivity of the C atoms in bi­cyclo­[3.3.1]­nonane. Two of the CuI ions exhibit short contacts with Ni, suggesting weak Ni—Cu bonding. The complex molecule exhibits twofold site symmetry (site 4e in space group C2/c).

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803015496/ci6246sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536803015496/ci6246Isup2.hkl
Contains datablock I

CCDC reference: 221643

Key indicators

  • Single-crystal X-ray study
  • T = 223 K
  • Mean [sigma](C-C) = 0.005 Å
  • R factor = 0.035
  • wR factor = 0.092
  • Data-to-parameter ratio = 16.5

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


Amber Alert Alert Level B:
ABSTM_02 Alert B The ratio of expected to reported Tmax/Tmin(RR) is > 1.50 Tmin and Tmax reported: 0.694 0.868 Tmin and Tmax expected: 0.438 0.868 RR = 1.583 Please check that your absorption correction is appropriate.
0 Alert Level A = Potentially serious problem
1 Alert Level B = Potential problem
0 Alert Level C = Please check

Computing details top

Data collection: SMART (Bruker, 2000); cell refinement: SMART; data reduction: SAINT (Bruker, 2000); program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPIII (Burnett & Johnson, 1996) and ORTEP-32 (Farrugia, 1997); software used to prepare material for publication: SHELXTL (Bruker, 2000).

Rac-bis[(1S,2S)-trans-3,3'-(1,2-cyclohexanediyldinitrilo)bis- (2-methylpropane-2-thiolato)]-1κ4N1,N1',S1,S1';- 2κ4N2,N2',S2,S2';3κ2S1,S2';4κ2S1',S2;- 5κ2S1',S2'-trichloro-3κCl,4κCl,5κCl-tricopper(I)- dinickel(II) bis(dimethylformamide) solvate top
Crystal data top
[Cu3Ni2Cl3(C14H28N2S2)2]·2C3H7NOF(000) = 2360
Mr = 1137.61Dx = 1.511 Mg m3
Monoclinic, C2/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2ycCell parameters from 957 reflections
a = 11.874 (3) Åθ = 3.0–24.4°
b = 20.058 (4) ŵ = 2.36 mm1
c = 21.348 (5) ÅT = 223 K
β = 100.48 (1)°Plate, dark orange–brown
V = 4999.4 (19) Å30.40 × 0.30 × 0.06 mm
Z = 4
Data collection top
Bruker CCD area-detector
diffractometer
4350 independent reflections
Radiation source: fine-focus sealed tube3522 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.031
φ and ω scansθmax = 25.0°, θmin = 2.6°
Absorption correction: multi-scan
(SADABS; Blessing, 1995)
h = 814
Tmin = 0.694, Tmax = 0.868k = 2023
12812 measured reflectionsl = 2225
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.035Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.092H atoms treated by a mixture of independent and constrained refinement
S = 1.00 w = 1/[σ2(Fo2) + (0.0545P)2 + 0.1342P]
where P = (Fo2 + 2Fc2)/3
4350 reflections(Δ/σ)max = 0.001
263 parametersΔρmax = 0.51 e Å3
0 restraintsΔρmin = 0.25 e Å3
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
xyzUiso*/UeqOcc. (<1)
Cu20.00000.17093 (3)0.75000.03928 (16)
Ni0.17797 (3)0.031088 (18)0.679617 (16)0.03369 (13)
Cu10.04823 (4)0.00549 (2)0.66571 (2)0.04442 (15)0.92
S10.04643 (7)0.10715 (4)0.67399 (3)0.0393 (2)
S20.18955 (7)0.00427 (4)0.77901 (3)0.0394 (2)
Cl20.00000.27912 (6)0.75000.0718 (4)
N20.2597 (2)0.04935 (14)0.66734 (12)0.0413 (6)
C80.3167 (3)0.04286 (16)0.61172 (14)0.0410 (8)
H80.38920.01900.62520.049*
N10.2083 (3)0.05945 (15)0.59711 (11)0.0413 (6)
C130.1723 (3)0.13401 (16)0.76803 (16)0.0521 (9)
H13A0.12140.12730.72810.078*
H13B0.12920.13440.80190.078*
H13C0.21130.17580.76720.078*
C20.1154 (3)0.10007 (17)0.56075 (14)0.0480 (8)
H2A0.05160.07140.54320.058*
H2B0.14240.12150.52550.058*
C100.2587 (3)0.07843 (15)0.77872 (13)0.0401 (7)
C70.3427 (3)0.10912 (18)0.58218 (16)0.0533 (9)
H7A0.27230.13410.56940.064*
H7B0.39390.13540.61330.064*
C40.2969 (3)0.01492 (19)0.50589 (16)0.0554 (9)
H4A0.24530.04090.47470.066*
H4B0.36580.04090.51960.066*
C10.0748 (3)0.15282 (16)0.60251 (14)0.0443 (8)
C90.3280 (3)0.07502 (17)0.72536 (14)0.0475 (8)
H9A0.39400.04650.73830.057*
H9B0.35550.11920.71750.057*
C50.3270 (4)0.0497 (2)0.47584 (16)0.0647 (11)
H5A0.36920.03960.44210.078*
H5B0.25700.07240.45680.078*
C30.2397 (3)0.00015 (16)0.56316 (14)0.0433 (8)
H30.16950.02540.54780.052*
C60.3986 (4)0.0961 (2)0.52387 (16)0.0634 (10)
H6A0.47370.07640.53790.076*
H6B0.40910.13820.50330.076*
C140.3394 (3)0.08767 (19)0.84267 (14)0.0545 (9)
H14A0.38060.12880.84220.082*
H14B0.29560.08880.87630.082*
H14C0.39260.05120.84960.082*
C110.1662 (4)0.20574 (17)0.62444 (19)0.0627 (10)
H11A0.18250.22950.58810.094*
H11B0.23470.18460.64630.094*
H11C0.13870.23640.65270.094*
C120.0367 (3)0.1845 (2)0.56874 (17)0.0671 (11)
H12A0.02250.20940.53250.101*
H12B0.06560.21390.59760.101*
H12C0.09200.15020.55480.101*
C200.4637 (4)0.8771 (2)0.3350 (2)0.0805 (13)
H200.41500.91050.31560.097*
N200.4162 (3)0.82035 (17)0.34396 (18)0.0708 (9)
O200.5632 (3)0.89125 (19)0.3489 (2)0.1264 (15)
C220.2946 (4)0.8096 (3)0.3260 (3)0.119 (2)
H22A0.25610.85180.32010.178*
H22B0.26760.78520.35900.178*
H22C0.27910.78470.28700.178*
C210.4853 (6)0.7680 (3)0.3765 (4)0.158 (3)
H21A0.51760.74210.34630.237*
H21B0.43890.73980.39780.237*
H21C0.54590.78700.40730.237*
H1N0.266 (3)0.0838 (16)0.6078 (15)0.040 (10)*
H2N0.195 (3)0.0756 (18)0.6587 (15)0.049 (10)*
Cl10.01524 (7)0.07899 (4)0.60242 (3)0.0496 (2)
Cu1A0.0156 (5)0.0217 (3)0.6948 (3)0.0450 (13)*0.08
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu20.0394 (3)0.0301 (3)0.0489 (3)0.0000.0095 (2)0.000
Ni0.0365 (2)0.0336 (2)0.0330 (2)0.00049 (17)0.01163 (16)0.00024 (15)
Cu10.0472 (3)0.0459 (3)0.0433 (3)0.0092 (2)0.0166 (2)0.0038 (2)
S10.0476 (5)0.0307 (4)0.0429 (4)0.0013 (4)0.0166 (4)0.0027 (3)
S20.0472 (5)0.0359 (4)0.0384 (4)0.0079 (4)0.0163 (4)0.0019 (3)
Cl20.0780 (11)0.0281 (6)0.1187 (12)0.0000.0428 (9)0.000
N20.0435 (18)0.0437 (16)0.0399 (14)0.0057 (14)0.0157 (12)0.0010 (12)
C80.0405 (19)0.0463 (19)0.0402 (16)0.0011 (15)0.0176 (14)0.0043 (14)
N10.0409 (17)0.0488 (17)0.0360 (13)0.0046 (15)0.0118 (12)0.0013 (12)
C130.072 (3)0.0378 (19)0.0498 (18)0.0081 (18)0.0188 (17)0.0024 (15)
C20.052 (2)0.056 (2)0.0368 (16)0.0034 (17)0.0099 (15)0.0118 (15)
C100.044 (2)0.0379 (18)0.0397 (15)0.0135 (15)0.0109 (14)0.0037 (13)
C70.060 (2)0.056 (2)0.0497 (18)0.0039 (18)0.0247 (17)0.0101 (16)
C40.056 (2)0.072 (2)0.0441 (18)0.0033 (19)0.0252 (17)0.0043 (17)
C10.049 (2)0.0427 (19)0.0429 (16)0.0023 (16)0.0140 (15)0.0113 (14)
C90.047 (2)0.055 (2)0.0425 (16)0.0175 (17)0.0144 (15)0.0035 (15)
C50.069 (3)0.089 (3)0.0435 (18)0.004 (2)0.0288 (18)0.0124 (19)
C30.043 (2)0.055 (2)0.0362 (15)0.0019 (16)0.0173 (14)0.0029 (14)
C60.077 (3)0.069 (3)0.053 (2)0.007 (2)0.0322 (19)0.0112 (18)
C140.057 (2)0.063 (2)0.0418 (17)0.0182 (19)0.0059 (16)0.0012 (16)
C110.073 (3)0.042 (2)0.079 (2)0.0055 (19)0.030 (2)0.0100 (19)
C120.071 (3)0.072 (3)0.059 (2)0.022 (2)0.0130 (19)0.018 (2)
C200.061 (3)0.063 (3)0.115 (4)0.001 (2)0.008 (3)0.011 (3)
N200.049 (2)0.054 (2)0.107 (3)0.0014 (17)0.0049 (18)0.0177 (19)
O200.055 (2)0.099 (3)0.216 (5)0.024 (2)0.000 (2)0.023 (3)
C220.063 (3)0.094 (4)0.196 (6)0.020 (3)0.019 (4)0.030 (4)
C210.143 (7)0.099 (5)0.216 (8)0.018 (4)0.008 (5)0.042 (5)
Cl10.0514 (5)0.0604 (5)0.0391 (4)0.0092 (4)0.0141 (4)0.0126 (4)
Geometric parameters (Å, º) top
Ni—S12.1710 (9)C7—H7A0.97
Ni—S22.1690 (9)C7—H7B0.97
Ni—N11.946 (2)C4—C51.518 (5)
Ni—N21.925 (3)C4—C31.533 (4)
Cu1—Cl12.2455 (10)C4—H4A0.97
Cu1A—Cl12.282 (5)C4—H4B0.97
Cu1—S12.3196 (10)C1—C121.526 (5)
Cu1A—S12.746 (6)C1—C111.529 (5)
Cu1—S2i2.2202 (9)C9—H9A0.97
S2—Cu1Ai2.296 (6)C9—H9B0.97
Ni—Cu12.6973 (8)C5—C61.523 (5)
Ni—Cu1A2.604 (5)C5—H5A0.97
Cu2—Cl22.1699 (14)C5—H5B0.97
Cu2—S12.2134 (8)C3—H30.98
Cu1—Cu1A0.863 (7)C6—H6A0.97
Cu1—Cu1Ai2.987 (6)C6—H6B0.97
S1—C11.862 (3)C14—H14A0.96
S2—C101.851 (3)C14—H14B0.96
S2—Cu1A2.801 (6)C14—H14C0.96
N2—C91.446 (4)C11—H11A0.96
N2—C81.476 (4)C11—H11B0.96
N2—H2N0.92 (3)C11—H11C0.96
C8—C31.517 (5)C12—H12A0.96
C8—C71.526 (4)C12—H12B0.96
C8—H80.98C12—H12C0.96
N1—C21.474 (4)C20—O201.199 (5)
N1—C31.480 (4)C20—N201.300 (5)
N1—H1N0.84 (3)C20—H200.93
C13—C101.504 (5)N20—C211.432 (7)
C13—H13A0.96N20—C221.441 (5)
C13—H13B0.96C22—H22A0.96
C13—H13C0.96C22—H22B0.96
C2—C11.518 (4)C22—H22C0.96
C2—H2A0.97C21—H21A0.96
C2—H2B0.97C21—H21B0.96
C10—C91.523 (4)C21—H21C0.96
C10—C141.530 (4)Cu1A—Cu1Ai2.320 (12)
C7—C61.536 (4)
N2—Ni—N186.61 (11)C3—C4—H4B109.7
N2—Ni—S288.94 (8)H4A—C4—H4B108.2
N1—Ni—S2165.65 (9)C2—C1—C12110.7 (3)
N2—Ni—S1163.11 (9)C2—C1—C11112.3 (3)
N1—Ni—S189.66 (9)C12—C1—C11111.2 (3)
S2—Ni—S198.36 (3)C2—C1—S1105.2 (2)
N2—Ni—Cu1110.01 (9)C12—C1—S1108.8 (2)
N1—Ni—Cu1107.49 (9)C11—C1—S1108.3 (2)
S2—Ni—Cu186.86 (3)N2—C9—C10111.2 (3)
S1—Ni—Cu155.65 (3)N2—C9—H9A109.4
S2i—Cu1—Cl1122.88 (3)C10—C9—H9A109.4
S2i—Cu1—S1111.83 (3)N2—C9—H9B109.4
Cl1—Cu1—S1125.03 (3)C10—C9—H9B109.4
S2i—Cu1—Ni141.01 (3)H9A—C9—H9B108.0
Cl1—Cu1—Ni86.03 (3)C4—C5—C6112.5 (3)
S1—Cu1—Ni50.60 (2)C4—C5—H5A109.1
Cl2—Cu2—S1125.31 (2)C6—C5—H5A109.1
S1i—Cu2—S1109.39 (5)C4—C5—H5B109.1
N2—Ni—Cu1A98.88 (16)C6—C5—H5B109.1
N1—Ni—Cu1A122.97 (16)H5A—C5—H5B107.8
S2—Ni—Cu1A71.21 (14)N1—C3—C8107.2 (2)
S1—Ni—Cu1A69.54 (14)N1—C3—C4114.8 (3)
Cu1A—Ni—Cu118.64 (14)C8—C3—C4110.9 (3)
Cu1A—Cu1—S2i84.0 (4)N1—C3—H3107.9
Cu1A—Cu1—Cl181.4 (3)C8—C3—H3107.9
Cu1A—Cu1—S1110.7 (4)C4—C3—H3107.9
Cu1A—Cu1—Ni74.6 (4)C5—C6—C7112.2 (3)
Cu1A—Cu1—Cu1Ai33.8 (3)C5—C6—H6A109.2
S2i—Cu1—Cu1Ai63.08 (11)C7—C6—H6A109.2
Cl1—Cu1—Cu1Ai114.94 (11)C5—C6—H6B109.2
S1—Cu1—Cu1Ai93.05 (13)C7—C6—H6B109.2
Ni—Cu1—Cu1Ai81.84 (11)H6A—C6—H6B107.9
C1—S1—Ni98.96 (11)C10—C14—H14A109.5
C1—S1—Cu2115.00 (11)C10—C14—H14B109.5
Ni—S1—Cu2129.66 (4)H14A—C14—H14B109.5
C1—S1—Cu1121.82 (11)C10—C14—H14C109.5
Ni—S1—Cu173.75 (3)H14A—C14—H14C109.5
Cu2—S1—Cu1112.46 (3)H14B—C14—H14C109.5
C1—S1—Cu1A133.57 (16)C1—C11—H11A109.5
Ni—S1—Cu1A62.67 (12)C1—C11—H11B109.5
Cu2—S1—Cu1A108.40 (11)H11A—C11—H11B109.5
C10—S2—Ni99.69 (9)C1—C11—H11C109.5
C10—S2—Cu1i112.96 (10)H11A—C11—H11C109.5
Ni—S2—Cu1i126.70 (4)H11B—C11—H11C109.5
C10—S2—Cu1Ai102.49 (18)C1—C12—H12A109.5
Ni—S2—Cu1Ai113.27 (15)C1—C12—H12B109.5
C10—S2—Cu1A99.52 (16)H12A—C12—H12B109.5
Ni—S2—Cu1A61.65 (12)C1—C12—H12C109.5
Cu1i—S2—Cu1A71.96 (11)H12A—C12—H12C109.5
Cu1Ai—S2—Cu1A53.0 (2)H12B—C12—H12C109.5
C9—N2—C8117.0 (3)O20—C20—N20127.2 (5)
C9—N2—Ni113.6 (2)O20—C20—H20116.4
C8—N2—Ni110.61 (19)N20—C20—H20116.4
C9—N2—H2N107 (2)C20—N20—C21119.2 (5)
C8—N2—H2N112 (2)C20—N20—C22122.1 (4)
Ni—N2—H2N95 (2)C21—N20—C22118.5 (5)
N2—C8—C3107.0 (2)N20—C22—H22A109.5
N2—C8—C7114.3 (3)N20—C22—H22B109.5
C3—C8—C7110.6 (3)H22A—C22—H22B109.5
N2—C8—H8108.3N20—C22—H22C109.5
C3—C8—H8108.3H22A—C22—H22C109.5
C7—C8—H8108.3H22B—C22—H22C109.5
C2—N1—C3114.8 (3)N20—C21—H21A109.5
C2—N1—Ni113.2 (2)N20—C21—H21B109.5
C3—N1—Ni108.15 (19)H21A—C21—H21B109.5
C2—N1—H1N109 (2)N20—C21—H21C109.5
C3—N1—H1N110 (2)H21A—C21—H21C109.5
Ni—N1—H1N102 (2)H21B—C21—H21C109.5
C10—C13—H13A109.5Cu1—Cu1A—Cl176.6 (4)
C10—C13—H13B109.5Cu1—Cu1A—S2i74.1 (4)
H13A—C13—H13B109.5Cl1—Cu1A—S2i117.9 (3)
C10—C13—H13C109.5Cu1—Cu1A—Cu1Ai134.3 (4)
H13A—C13—H13C109.5Cl1—Cu1A—Cu1Ai148.6 (2)
H13B—C13—H13C109.5S2i—Cu1A—Cu1Ai74.7 (3)
N1—C2—C1111.3 (3)Cu1—Cu1A—Ni86.8 (4)
N1—C2—H2A109.4Cl1—Cu1A—Ni87.54 (17)
C1—C2—H2A109.4S2i—Cu1A—Ni142.3 (3)
N1—C2—H2B109.4Cu1Ai—Cu1A—Ni98.3 (3)
C1—C2—H2B109.4Cu1—Cu1A—S152.2 (3)
H2A—C2—H2B108.0Cl1—Cu1A—S1106.9 (2)
C13—C10—C9111.5 (3)S2i—Cu1A—S196.0 (2)
C13—C10—C14110.2 (3)Cu1Ai—Cu1A—S199.57 (16)
C9—C10—C14109.7 (3)Ni—Cu1A—S147.79 (10)
C13—C10—S2112.0 (2)Cu1—Cu1A—S2124.6 (4)
C9—C10—S2105.2 (2)Cl1—Cu1A—S2120.7 (2)
C14—C10—S2108.2 (2)S2i—Cu1A—S2121.1 (2)
C8—C7—C6109.6 (3)Cu1Ai—Cu1A—S252.3 (2)
C8—C7—H7A109.7Ni—Cu1A—S247.14 (10)
C6—C7—H7A109.7S1—Cu1A—S272.60 (13)
C8—C7—H7B109.7Cu1—Cu1A—Cu1i126.9 (4)
C6—C7—H7B109.7Cl1—Cu1A—Cu1i156.0 (3)
H7A—C7—H7B108.2S2i—Cu1A—Cu1i77.98 (15)
C5—C4—C3109.9 (3)Cu1Ai—Cu1A—Cu1i11.94 (14)
C5—C4—H4A109.7Ni—Cu1A—Cu1i88.85 (17)
C3—C4—H4A109.7S1—Cu1A—Cu1i87.83 (15)
C5—C4—H4B109.7S2—Cu1A—Cu1i44.97 (9)
N2—Ni—Cu1—Cu1A55.6 (4)Ni—N2—C9—C1048.8 (3)
N1—Ni—Cu1—Cu1A148.3 (4)C13—C10—C9—N272.7 (4)
S2—Ni—Cu1—Cu1A32.2 (4)C14—C10—C9—N2165.1 (3)
S1—Ni—Cu1—Cu1A134.5 (4)S2—C10—C9—N248.9 (3)
N2—Ni—Cu1—S2i114.56 (9)C3—C4—C5—C653.8 (4)
N1—Ni—Cu1—S2i152.65 (10)C2—N1—C3—C8168.2 (3)
S2—Ni—Cu1—S2i26.84 (4)Ni—N1—C3—C840.7 (3)
S1—Ni—Cu1—S2i75.52 (5)C2—N1—C3—C468.1 (4)
Cu1A—Ni—Cu1—S2i59.0 (4)Ni—N1—C3—C4164.4 (3)
N2—Ni—Cu1—Cl126.62 (8)N2—C8—C3—N148.8 (3)
N1—Ni—Cu1—Cl166.17 (10)C7—C8—C3—N1173.9 (3)
S2—Ni—Cu1—Cl1114.35 (4)N2—C8—C3—C4174.7 (3)
S1—Ni—Cu1—Cl1143.30 (4)C7—C8—C3—C460.2 (4)
Cu1A—Ni—Cu1—Cl182.2 (4)C5—C4—C3—N1178.9 (3)
N2—Ni—Cu1—S1169.92 (8)C5—C4—C3—C857.3 (4)
N1—Ni—Cu1—S177.13 (9)C4—C5—C6—C753.3 (5)
S2—Ni—Cu1—S1102.35 (3)C8—C7—C6—C554.2 (4)
Cu1A—Ni—Cu1—S1134.5 (4)O20—C20—N20—C213.2 (8)
N2—Ni—Cu1—Cu1Ai89.29 (14)O20—C20—N20—C22178.9 (5)
N1—Ni—Cu1—Cu1Ai177.92 (15)S2i—Cu1—Cl1—Cu1A77.0 (4)
S2—Ni—Cu1—Cu1Ai1.56 (12)S1—Cu1—Cl1—Cu1A109.3 (4)
S1—Ni—Cu1—Cu1Ai100.79 (12)Ni—Cu1—Cl1—Cu1A75.0 (4)
Cu1A—Ni—Cu1—Cu1Ai33.7 (3)Cu1Ai—Cu1—Cl1—Cu1A4.1 (5)
N2—Ni—S1—C186.2 (3)S2i—Cu1—Cu1A—Cl1124.62 (9)
N1—Ni—S1—C19.08 (14)S1—Cu1—Cu1A—Cl1124.30 (12)
S2—Ni—S1—C1158.98 (11)Ni—Cu1—Cu1A—Cl188.22 (11)
Cu1A—Ni—S1—C1134.74 (18)Cu1Ai—Cu1—Cu1A—Cl1173.3 (7)
Cu1—Ni—S1—C1120.67 (11)Cl1—Cu1—Cu1A—S2i124.62 (9)
N2—Ni—S1—Cu2140.5 (3)S1—Cu1—Cu1A—S2i111.08 (13)
N1—Ni—S1—Cu2142.43 (10)Ni—Cu1—Cu1A—S2i147.16 (13)
S2—Ni—S1—Cu225.63 (6)Cu1Ai—Cu1—Cu1A—S2i48.6 (7)
Cu1A—Ni—S1—Cu291.90 (14)S2i—Cu1—Cu1A—Cu1Ai48.6 (7)
Cu1—Ni—S1—Cu2105.98 (5)Cl1—Cu1—Cu1A—Cu1Ai173.3 (7)
N2—Ni—S1—Cu134.5 (3)S1—Cu1—Cu1A—Cu1Ai62.4 (8)
N1—Ni—S1—Cu1111.59 (9)Ni—Cu1—Cu1A—Cu1Ai98.5 (7)
S2—Ni—S1—Cu180.35 (3)S2i—Cu1—Cu1A—Ni147.16 (13)
Cu1A—Ni—S1—Cu114.08 (13)Cl1—Cu1—Cu1A—Ni88.22 (11)
N2—Ni—S1—Cu1A48.6 (3)S1—Cu1—Cu1A—Ni36.1 (2)
N1—Ni—S1—Cu1A125.67 (16)Cu1Ai—Cu1—Cu1A—Ni98.5 (7)
S2—Ni—S1—Cu1A66.28 (14)S2i—Cu1—Cu1A—S1111.08 (13)
Cu1—Ni—S1—Cu1A14.08 (13)Cl1—Cu1—Cu1A—S1124.30 (12)
Cl2—Cu2—S1—C15.47 (13)Ni—Cu1—Cu1A—S136.1 (2)
S1i—Cu2—S1—C1174.53 (13)Cu1Ai—Cu1—Cu1A—S162.4 (8)
Cl2—Cu2—S1—Ni122.11 (4)S2i—Cu1—Cu1A—S2117.2 (4)
S1i—Cu2—S1—Ni57.89 (4)Cl1—Cu1—Cu1A—S2118.2 (4)
Cl2—Cu2—S1—Cu1150.79 (2)S1—Cu1—Cu1A—S26.1 (5)
S1i—Cu2—S1—Cu129.21 (2)Ni—Cu1—Cu1A—S230.0 (3)
Cl2—Cu2—S1—Cu1A168.54 (14)Cu1Ai—Cu1—Cu1A—S268.5 (6)
S1i—Cu2—S1—Cu1A11.46 (14)S2i—Cu1—Cu1A—Cu1i61.0 (4)
Cu1A—Cu1—S1—C1137.8 (4)Cl1—Cu1—Cu1A—Cu1i174.4 (5)
S2i—Cu1—S1—C1130.43 (13)S1—Cu1—Cu1A—Cu1i50.1 (5)
Cl1—Cu1—S1—C143.84 (14)Ni—Cu1—Cu1A—Cu1i86.2 (4)
Ni—Cu1—S1—C190.58 (13)Cu1Ai—Cu1—Cu1A—Cu1i12.4 (3)
Cu1Ai—Cu1—S1—C1167.42 (16)Cu1—Cl1—Cu1A—S2i63.6 (4)
Cu1A—Cu1—S1—Ni47.3 (4)Cu1—Cl1—Cu1A—Cu1Ai170.7 (11)
S2i—Cu1—S1—Ni138.99 (4)Cu1—Cl1—Cu1A—Ni87.3 (4)
Cl1—Cu1—S1—Ni46.73 (5)Cu1—Cl1—Cu1A—S143.0 (3)
Cu1Ai—Cu1—S1—Ni76.84 (10)Cu1—Cl1—Cu1A—S2122.5 (5)
Cu1A—Cu1—S1—Cu279.5 (4)Cu1—Cl1—Cu1A—Cu1i168.9 (9)
S2i—Cu1—S1—Cu212.21 (5)N2—Ni—Cu1A—Cu1128.3 (3)
Cl1—Cu1—S1—Cu2173.52 (4)N1—Ni—Cu1A—Cu136.6 (4)
Ni—Cu1—S1—Cu2126.78 (4)S2—Ni—Cu1A—Cu1145.8 (4)
Cu1Ai—Cu1—S1—Cu249.95 (11)S1—Ni—Cu1A—Cu138.9 (3)
S2i—Cu1—S1—Cu1A91.7 (4)N2—Ni—Cu1A—Cl151.6 (2)
Cl1—Cu1—S1—Cu1A94.0 (4)N1—Ni—Cu1A—Cl140.1 (3)
Ni—Cu1—S1—Cu1A47.3 (4)S2—Ni—Cu1A—Cl1137.4 (2)
Cu1Ai—Cu1—S1—Cu1A29.6 (4)S1—Ni—Cu1A—Cl1115.6 (2)
N2—Ni—S2—C104.10 (14)Cu1—Ni—Cu1A—Cl176.7 (3)
N1—Ni—S2—C1076.0 (4)N2—Ni—Cu1A—S2i173.1 (4)
S1—Ni—S2—C10160.62 (11)N1—Ni—Cu1A—S2i95.2 (4)
Cu1A—Ni—S2—C1095.65 (17)S2—Ni—Cu1A—S2i87.3 (4)
Cu1—Ni—S2—C10106.01 (11)S1—Ni—Cu1A—S2i19.6 (4)
N2—Ni—S2—Cu1i132.47 (10)Cu1—Ni—Cu1A—S2i58.6 (4)
N1—Ni—S2—Cu1i155.6 (4)N2—Ni—Cu1A—Cu1Ai97.33 (14)
S1—Ni—S2—Cu1i32.24 (5)N1—Ni—Cu1A—Cu1Ai170.95 (15)
Cu1A—Ni—S2—Cu1i32.72 (14)S2—Ni—Cu1A—Cu1Ai11.51 (11)
Cu1—Ni—S2—Cu1i22.36 (4)S1—Ni—Cu1A—Cu1Ai95.40 (13)
N2—Ni—S2—Cu1Ai112.30 (19)Cu1—Ni—Cu1A—Cu1Ai134.3 (4)
N1—Ni—S2—Cu1Ai175.8 (4)N2—Ni—Cu1A—S1167.27 (8)
S1—Ni—S2—Cu1Ai52.42 (17)N1—Ni—Cu1A—S175.55 (14)
Cu1A—Ni—S2—Cu1Ai12.54 (10)S2—Ni—Cu1A—S1106.91 (7)
Cu1—Ni—S2—Cu1Ai2.19 (17)Cu1—Ni—Cu1A—S138.9 (3)
N2—Ni—S2—Cu1A99.75 (16)N2—Ni—Cu1A—S285.82 (9)
N1—Ni—S2—Cu1A171.6 (4)N1—Ni—Cu1A—S2177.54 (11)
S1—Ni—S2—Cu1A64.96 (14)S1—Ni—Cu1A—S2106.91 (7)
Cu1—Ni—S2—Cu1A10.36 (14)Cu1—Ni—Cu1A—S2145.8 (4)
N1—Ni—N2—C9143.6 (2)N2—Ni—Cu1A—Cu1i104.61 (13)
S2—Ni—N2—C922.8 (2)N1—Ni—Cu1A—Cu1i163.67 (11)
S1—Ni—N2—C9138.9 (2)S2—Ni—Cu1A—Cu1i18.79 (8)
Cu1A—Ni—N2—C993.6 (3)S1—Ni—Cu1A—Cu1i88.12 (12)
Cu1—Ni—N2—C9109.1 (2)Cu1—Ni—Cu1A—Cu1i127.0 (4)
N1—Ni—N2—C89.7 (2)C1—S1—Cu1A—Cu151.9 (5)
S2—Ni—N2—C8156.6 (2)Ni—S1—Cu1A—Cu1127.5 (4)
S1—Ni—N2—C887.3 (4)Cu2—S1—Cu1A—Cu1106.7 (3)
Cu1A—Ni—N2—C8132.6 (3)C1—S1—Cu1A—Cl15.2 (4)
Cu1—Ni—N2—C8117.1 (2)Ni—S1—Cu1A—Cl170.30 (18)
C9—N2—C8—C3166.4 (3)Cu2—S1—Cu1A—Cl1163.88 (16)
Ni—N2—C8—C334.3 (3)Cu1—S1—Cu1A—Cl157.2 (3)
C9—N2—C8—C770.8 (4)C1—S1—Cu1A—S2i116.4 (2)
Ni—N2—C8—C7157.1 (2)Ni—S1—Cu1A—S2i168.1 (2)
N2—Ni—N1—C2146.2 (2)Cu2—S1—Cu1A—S2i42.3 (2)
S2—Ni—N1—C2141.6 (3)Cu1—S1—Cu1A—S2i64.5 (3)
S1—Ni—N1—C217.3 (2)C1—S1—Cu1A—Cu1Ai168.1 (2)
Cu1A—Ni—N1—C247.8 (3)Ni—S1—Cu1A—Cu1Ai92.6 (3)
Cu1—Ni—N1—C236.3 (2)Cu2—S1—Cu1A—Cu1Ai33.2 (3)
N2—Ni—N1—C317.8 (2)Cu1—S1—Cu1A—Cu1Ai139.9 (6)
S2—Ni—N1—C390.0 (4)C1—S1—Cu1A—Ni75.5 (2)
S1—Ni—N1—C3145.7 (2)Cu2—S1—Cu1A—Ni125.81 (6)
Cu1A—Ni—N1—C380.6 (3)Cu1—S1—Cu1A—Ni127.5 (4)
Cu1—Ni—N1—C392.1 (2)C1—S1—Cu1A—S2122.85 (19)
C3—N1—C2—C1170.2 (3)Ni—S1—Cu1A—S247.31 (7)
Ni—N1—C2—C145.3 (3)Cu2—S1—Cu1A—S278.51 (10)
Ni—S2—C10—C1393.3 (2)Cu1—S1—Cu1A—S2174.8 (4)
Cu1i—S2—C10—C1343.7 (2)C1—S1—Cu1A—Cu1i165.96 (15)
Cu1Ai—S2—C10—C1323.4 (3)Ni—S1—Cu1A—Cu1i90.41 (14)
Cu1A—S2—C10—C1330.7 (2)Cu2—S1—Cu1A—Cu1i35.40 (15)
Ni—S2—C10—C928.0 (2)Cu1—S1—Cu1A—Cu1i142.1 (4)
Cu1i—S2—C10—C9164.92 (19)C10—S2—Cu1A—Cu1138.9 (5)
Cu1Ai—S2—C10—C9144.6 (3)Ni—S2—Cu1A—Cu142.9 (5)
Cu1A—S2—C10—C990.6 (2)Cu1i—S2—Cu1A—Cu1110.0 (5)
Ni—S2—C10—C14145.1 (2)Cu1Ai—S2—Cu1A—Cu1122.6 (5)
Cu1i—S2—C10—C1477.9 (2)C10—S2—Cu1A—Cl144.1 (3)
Cu1Ai—S2—C10—C1498.2 (3)Ni—S2—Cu1A—Cl151.8 (2)
Cu1A—S2—C10—C14152.3 (2)Cu1i—S2—Cu1A—Cl1155.3 (3)
N2—C8—C7—C6178.4 (3)Cu1Ai—S2—Cu1A—Cl1142.68 (19)
C3—C8—C7—C657.7 (4)C10—S2—Cu1A—S2i129.6 (3)
N1—C2—C1—C12168.1 (3)Ni—S2—Cu1A—S2i134.5 (3)
N1—C2—C1—C1166.9 (4)Cu1i—S2—Cu1A—S2i18.4 (2)
N1—C2—C1—S150.7 (3)Cu1Ai—S2—Cu1A—S2i31.0 (4)
Ni—S1—C1—C232.9 (2)C10—S2—Cu1A—Cu1Ai98.53 (15)
Cu2—S1—C1—C2174.73 (18)Ni—S2—Cu1A—Cu1Ai165.54 (9)
Cu1—S1—C1—C243.5 (3)Cu1i—S2—Cu1A—Cu1Ai12.65 (14)
Cu1A—S1—C1—C227.7 (3)C10—S2—Cu1A—Ni95.93 (12)
Ni—S1—C1—C12151.5 (2)Cu1i—S2—Cu1A—Ni152.88 (11)
Cu2—S1—C1—C1266.6 (3)Cu1Ai—S2—Cu1A—Ni165.54 (9)
Cu1—S1—C1—C1275.2 (3)C10—S2—Cu1A—S1143.89 (12)
Cu1A—S1—C1—C1291.0 (3)Ni—S2—Cu1A—S147.96 (7)
Ni—S1—C1—C1187.5 (2)Cu1i—S2—Cu1A—S1104.93 (10)
Cu2—S1—C1—C1154.4 (3)Cu1Ai—S2—Cu1A—S1117.58 (14)
Cu1—S1—C1—C11163.83 (19)C10—S2—Cu1A—Cu1i111.18 (10)
Cu1A—S1—C1—C11148.0 (3)Ni—S2—Cu1A—Cu1i152.88 (11)
C8—N2—C9—C10179.5 (3)Cu1Ai—S2—Cu1A—Cu1i12.65 (14)
Symmetry code: (i) x, y, z+3/2.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N1—H1N···O20ii0.84 (4)2.13 (4)2.921 (5)157 (3)
N2—H2N···Cl10.92 (4)2.57 (4)3.359 (3)144 (3)
C9—H9B···Cl2iii0.972.673.552 (4)151
Symmetry codes: (ii) x+1, y+1, z+1; (iii) x+1/2, y1/2, z.
 

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