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The title compound, [Cu22-O2CC12H8NO2S)4(CH3CN)2], consists of a dinuclear and centrosymmetric complex based on two CuII atoms coordinated by four 5-nitro-2-phenyl­sulfanyl-benzoate anions and two aceto­nitrile ligands. Each benzoate anion acts as a bis-monodentate ligand while each aceto­nitrile acts as a monodentate ligand, leading to a square-pyramidal NO4 coordination environment for each CuII atom with the aceto­nitrile N atom at the apex. The intra­molecular Cu...Cu distance in the dimer is 2.6478 (3) Å. The cohesion of the crystal structure is ensured by (phen­yl)C—H...O(nitro) hydrogen bonds and (phen­yl)C—H...π inter­actions.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S2414314620008019/wm4131sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2414314620008019/wm4131Isup2.hkl
Contains datablock I

CCDC reference: 2009944

Key indicators

  • Single-crystal X-ray study
  • T = 90 K
  • Mean [sigma](C-C) = 0.002 Å
  • R factor = 0.023
  • wR factor = 0.061
  • Data-to-parameter ratio = 16.7

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT220_ALERT_2_C NonSolvent Resd 1 C Ueq(max) / Ueq(min) Range 3.2 Ratio PLAT480_ALERT_4_C Long H...A H-Bond Reported H6B ..O18A . 2.65 Ang. PLAT911_ALERT_3_C Missing FCF Refl Between Thmin & STh/L= 0.600 10 Report PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 7 Note
Alert level G PLAT154_ALERT_1_G The s.u.'s on the Cell Angles are Equal ..(Note) 0.0005 Degree PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Cu1 --N22 . 5.7 s.u. PLAT794_ALERT_5_G Tentative Bond Valency for Cu1 (II) . 2.16 Info PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 6 Note PLAT978_ALERT_2_G Number C-C Bonds with Positive Residual Density. 19 Info
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 4 ALERT level C = Check. Ensure it is not caused by an omission or oversight 5 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

Computing details top

Data collection: COLLECT (Nonius, 2002); cell refinement: DENZO-SMN (Otwinowski & Minor, 1997); data reduction: DENZO-SMN (Otwinowski & Minor, 1997); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2018/3 (Sheldrick, 2015); molecular graphics: XP in SHELXTL (Sheldrick, 2008) and Mercury (Macrae et al., 2020); software used to prepare material for publication: publCIF (Westrip, 2010).

Tetrakis[µ2-5-nitro-2-(phenylsulfanyl)benzoato-κ2O:O']bis[(acetonitrile-κN)copper(II)] top
Crystal data top
[Cu2(C13H8NO4S)4(C2H3N)2]Z = 1
Mr = 1306.24F(000) = 666
Triclinic, P1Dx = 1.565 Mg m3
a = 10.7377 (1) ÅMo Kα radiation, λ = 0.71073 Å
b = 11.0957 (1) ÅCell parameters from 6289 reflections
c = 12.4857 (2) Åθ = 1.0–27.5°
α = 77.9948 (5)°µ = 1.00 mm1
β = 88.1362 (5)°T = 90 K
γ = 72.3710 (5)°Rod, blue
V = 1385.97 (3) Å30.50 × 0.40 × 0.20 mm
Data collection top
Nonius KappaCCD
diffractometer
6335 independent reflections
Radiation source: fine-focus sealed tube5914 reflections with I > 2σ(I)
Detector resolution: 18 pixels mm-1Rint = 0.016
ω scans at fixed χ=55°θmax = 27.5°, θmin = 1.7°
Absorption correction: multi-scan
(Scalepack; Otwinowski & Minor, 1997)
h = 1313
Tmin = 0.636, Tmax = 0.826k = 1414
12571 measured reflectionsl = 1616
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)] = 0.023Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.061H-atom parameters constrained
S = 1.05 w = 1/[σ2(Fo2) + (0.0208P)2 + 0.9758P]
where P = (Fo2 + 2Fc2)/3
6335 reflections(Δ/σ)max = 0.002
380 parametersΔρmax = 0.36 e Å3
0 restraintsΔρmin = 0.39 e Å3
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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Cu10.37846 (2)0.99509 (2)0.01065 (2)0.00993 (5)
C200.00546 (18)1.0018 (2)0.19864 (15)0.0383 (4)
H20A0.0217840.9180440.2494620.057*
H20B0.0824181.0276380.1650400.057*
H20C0.0121331.0668830.2386910.057*
C210.10207 (15)0.99118 (16)0.11335 (13)0.0219 (3)
N220.17853 (12)0.98250 (13)0.04760 (11)0.0210 (3)
C1A0.73172 (13)0.54587 (13)0.03417 (11)0.0129 (3)
C2A0.63214 (13)0.61581 (13)0.02586 (10)0.0121 (3)
C3A0.57027 (13)0.55063 (13)0.10719 (11)0.0131 (3)
H3A0.5029080.5974530.1474040.016*
C4A0.60775 (13)0.41742 (13)0.12878 (11)0.0135 (3)
C5A0.70116 (14)0.34601 (13)0.06829 (11)0.0154 (3)
H5A0.7230210.2544240.0824990.018*
C6A0.76180 (14)0.41077 (14)0.01307 (12)0.0161 (3)
H6A0.8251600.3628400.0556050.019*
S7A0.81150 (3)0.63183 (3)0.13466 (3)0.01537 (8)
C8A0.90777 (13)0.50792 (13)0.20027 (11)0.0141 (3)
C9A0.87216 (14)0.50745 (14)0.30608 (12)0.0164 (3)
H9A0.7962240.5707170.3417010.020*
C10A0.94849 (14)0.41366 (15)0.35961 (12)0.0199 (3)
H10A0.9259250.4140270.4326420.024*
C11A1.05753 (15)0.31967 (15)0.30620 (13)0.0220 (3)
H11A1.1082050.2546190.3423540.026*
C12A1.09315 (14)0.31990 (15)0.20054 (13)0.0211 (3)
H12A1.1674430.2547410.1642270.025*
C13A1.01995 (14)0.41563 (15)0.14789 (12)0.0176 (3)
H13A1.0460030.4183410.0766590.021*
C14A0.58662 (13)0.76073 (13)0.00758 (10)0.0119 (2)
O15A0.32797 (9)1.18158 (9)0.00850 (8)0.0148 (2)
O16A0.46503 (10)0.81172 (9)0.01343 (8)0.0167 (2)
N17A0.54354 (12)0.34971 (12)0.21587 (9)0.0167 (2)
O18A0.57926 (13)0.23095 (10)0.23492 (9)0.0291 (3)
O19A0.45741 (11)0.41481 (10)0.26574 (9)0.0218 (2)
C1B0.47177 (13)0.84097 (13)0.39310 (11)0.0132 (3)
C2B0.55474 (13)0.90071 (13)0.32621 (11)0.0123 (3)
C3B0.66210 (13)0.91810 (13)0.37284 (11)0.0132 (3)
H3B0.7184860.9570580.3280180.016*
C4B0.68656 (13)0.87855 (13)0.48456 (11)0.0135 (3)
C5B0.60457 (14)0.82457 (13)0.55299 (11)0.0146 (3)
H5B0.6209790.8008780.6300000.018*
C6B0.49851 (13)0.80600 (13)0.50678 (11)0.0146 (3)
H6B0.4420990.7685850.5530190.017*
S7B0.34082 (3)0.80704 (4)0.33483 (3)0.01856 (8)
C8B0.28760 (13)0.71437 (14)0.45143 (11)0.0161 (3)
C9B0.18868 (14)0.77613 (15)0.51410 (13)0.0203 (3)
H9B0.1484110.8668970.4938670.024*
C10B0.14911 (15)0.70463 (16)0.60623 (13)0.0228 (3)
H10B0.0820940.7467740.6493820.027*
C11B0.20682 (15)0.57216 (16)0.63558 (12)0.0221 (3)
H11B0.1814780.5239630.7000330.026*
C12B0.30193 (15)0.50986 (15)0.57050 (13)0.0210 (3)
H12B0.3398400.4186770.5894750.025*
C13B0.34171 (14)0.58063 (14)0.47772 (12)0.0177 (3)
H13B0.4055300.5378580.4325250.021*
C14B0.53438 (13)0.94456 (13)0.20461 (11)0.0127 (3)
O15B0.36927 (9)1.03736 (9)0.14980 (8)0.01443 (19)
O16B0.42258 (10)0.95862 (10)0.16679 (8)0.0179 (2)
N17B0.80353 (12)0.89184 (12)0.53147 (10)0.0176 (2)
O18B0.81739 (12)0.86967 (12)0.63151 (9)0.0276 (3)
O19B0.88348 (10)0.92404 (11)0.46750 (9)0.0218 (2)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu10.01075 (8)0.00931 (8)0.00903 (8)0.00330 (6)0.00151 (6)0.00015 (6)
C200.0299 (9)0.0581 (13)0.0299 (9)0.0159 (9)0.0122 (8)0.0135 (9)
C210.0170 (7)0.0264 (8)0.0228 (8)0.0082 (6)0.0015 (6)0.0034 (6)
N220.0148 (6)0.0245 (7)0.0233 (6)0.0080 (5)0.0009 (5)0.0010 (5)
C1A0.0140 (6)0.0137 (6)0.0112 (6)0.0047 (5)0.0003 (5)0.0022 (5)
C2A0.0143 (6)0.0115 (6)0.0104 (6)0.0037 (5)0.0011 (5)0.0018 (5)
C3A0.0150 (6)0.0133 (6)0.0105 (6)0.0037 (5)0.0001 (5)0.0025 (5)
C4A0.0173 (6)0.0136 (6)0.0099 (6)0.0068 (5)0.0002 (5)0.0000 (5)
C5A0.0183 (7)0.0106 (6)0.0163 (6)0.0035 (5)0.0010 (5)0.0019 (5)
C6A0.0169 (7)0.0140 (7)0.0177 (7)0.0037 (5)0.0028 (5)0.0055 (5)
S7A0.01914 (17)0.01343 (16)0.01462 (16)0.00625 (13)0.00703 (13)0.00429 (12)
C8A0.0141 (6)0.0146 (6)0.0146 (6)0.0054 (5)0.0047 (5)0.0040 (5)
C9A0.0135 (6)0.0179 (7)0.0165 (7)0.0030 (5)0.0004 (5)0.0036 (5)
C10A0.0186 (7)0.0262 (8)0.0175 (7)0.0068 (6)0.0016 (5)0.0103 (6)
C11A0.0177 (7)0.0212 (8)0.0286 (8)0.0039 (6)0.0068 (6)0.0122 (6)
C12A0.0136 (7)0.0202 (7)0.0256 (8)0.0014 (6)0.0008 (6)0.0015 (6)
C13A0.0154 (7)0.0230 (7)0.0142 (6)0.0067 (6)0.0008 (5)0.0022 (5)
C14A0.0165 (6)0.0115 (6)0.0070 (6)0.0035 (5)0.0009 (5)0.0012 (5)
O15A0.0164 (5)0.0110 (5)0.0177 (5)0.0050 (4)0.0039 (4)0.0039 (4)
O16A0.0149 (5)0.0102 (5)0.0231 (5)0.0029 (4)0.0014 (4)0.0009 (4)
N17A0.0243 (6)0.0150 (6)0.0116 (5)0.0087 (5)0.0004 (5)0.0004 (4)
O18A0.0527 (8)0.0130 (5)0.0222 (6)0.0134 (5)0.0126 (5)0.0016 (4)
O19A0.0243 (5)0.0208 (5)0.0188 (5)0.0072 (4)0.0082 (4)0.0015 (4)
C1B0.0130 (6)0.0118 (6)0.0127 (6)0.0017 (5)0.0005 (5)0.0013 (5)
C2B0.0140 (6)0.0098 (6)0.0109 (6)0.0008 (5)0.0020 (5)0.0017 (5)
C3B0.0149 (6)0.0108 (6)0.0133 (6)0.0028 (5)0.0034 (5)0.0031 (5)
C4B0.0135 (6)0.0125 (6)0.0147 (6)0.0032 (5)0.0003 (5)0.0043 (5)
C5B0.0182 (7)0.0133 (6)0.0104 (6)0.0025 (5)0.0010 (5)0.0016 (5)
C6B0.0154 (6)0.0151 (7)0.0118 (6)0.0042 (5)0.0032 (5)0.0007 (5)
S7B0.01666 (17)0.02532 (19)0.01348 (16)0.01036 (14)0.00195 (13)0.00278 (13)
C8B0.0139 (6)0.0204 (7)0.0144 (6)0.0077 (5)0.0000 (5)0.0006 (5)
C9B0.0181 (7)0.0177 (7)0.0269 (8)0.0069 (6)0.0033 (6)0.0066 (6)
C10B0.0210 (7)0.0297 (8)0.0239 (8)0.0124 (6)0.0093 (6)0.0134 (6)
C11B0.0228 (7)0.0304 (8)0.0163 (7)0.0158 (7)0.0014 (6)0.0007 (6)
C12B0.0194 (7)0.0187 (7)0.0226 (7)0.0060 (6)0.0029 (6)0.0015 (6)
C13B0.0133 (6)0.0209 (7)0.0178 (7)0.0036 (5)0.0000 (5)0.0041 (6)
C14B0.0167 (6)0.0088 (6)0.0111 (6)0.0020 (5)0.0016 (5)0.0018 (5)
O15B0.0153 (5)0.0167 (5)0.0099 (4)0.0040 (4)0.0027 (4)0.0015 (4)
O16B0.0172 (5)0.0245 (5)0.0104 (4)0.0073 (4)0.0004 (4)0.0017 (4)
N17B0.0187 (6)0.0177 (6)0.0180 (6)0.0065 (5)0.0004 (5)0.0059 (5)
O18B0.0295 (6)0.0413 (7)0.0168 (5)0.0159 (5)0.0035 (4)0.0080 (5)
O19B0.0196 (5)0.0248 (6)0.0243 (5)0.0116 (4)0.0030 (4)0.0053 (4)
Geometric parameters (Å, º) top
Cu1—O16B1.9505 (10)C13A—H13A0.9500
Cu1—O16A1.9576 (10)C14A—O15Ai1.2574 (17)
Cu1—O15B1.9588 (9)C14A—O16A1.2624 (17)
Cu1—O15A1.9685 (10)N17A—O18A1.2287 (16)
Cu1—N222.2206 (12)N17A—O19A1.2287 (16)
Cu1—Cu1i2.6478 (3)C1B—C6B1.4062 (18)
C20—C211.460 (2)C1B—C2B1.4176 (18)
C20—H20A0.9800C1B—S7B1.7746 (14)
C20—H20B0.9800C2B—C3B1.3893 (19)
C20—H20C0.9800C2B—C14B1.4966 (18)
C21—N221.139 (2)C3B—C4B1.3808 (19)
C1A—C6A1.4032 (19)C3B—H3B0.9500
C1A—C2A1.4123 (18)C4B—C5B1.3862 (19)
C1A—S7A1.7734 (14)C4B—N17B1.4623 (18)
C2A—C3A1.3919 (18)C5B—C6B1.381 (2)
C2A—C14A1.5017 (18)C5B—H5B0.9500
C3A—C4A1.3785 (19)C6B—H6B0.9500
C3A—H3A0.9500S7B—C8B1.7839 (14)
C4A—C5A1.3865 (19)C8B—C13B1.391 (2)
C4A—N17A1.4654 (17)C8B—C9B1.392 (2)
C5A—C6A1.3816 (19)C9B—C10B1.388 (2)
C5A—H5A0.9500C9B—H9B0.9500
C6A—H6A0.9500C10B—C11B1.385 (2)
S7A—C8A1.7840 (14)C10B—H10B0.9500
C8A—C9A1.3887 (19)C11B—C12B1.390 (2)
C8A—C13A1.397 (2)C11B—H11B0.9500
C9A—C10A1.392 (2)C12B—C13B1.391 (2)
C9A—H9A0.9500C12B—H12B0.9500
C10A—C11A1.387 (2)C13B—H13B0.9500
C10A—H10A0.9500C14B—O16B1.2574 (17)
C11A—C12A1.386 (2)C14B—O15Bi1.2655 (16)
C11A—H11A0.9500N17B—O18B1.2267 (16)
C12A—C13A1.389 (2)N17B—O19B1.2349 (16)
C12A—H12A0.9500
O16B—Cu1—O16A87.64 (4)C12A—C13A—C8A119.63 (13)
O16B—Cu1—O15B168.27 (4)C12A—C13A—H13A120.2
O16A—Cu1—O15B91.98 (4)C8A—C13A—H13A120.2
O16B—Cu1—O15A89.65 (4)O15Ai—C14A—O16A126.72 (13)
O16A—Cu1—O15A168.31 (4)O15Ai—C14A—C2A117.69 (12)
O15B—Cu1—O15A88.37 (4)O16A—C14A—C2A115.55 (12)
O16B—Cu1—N2290.57 (4)C14Ai—O15A—Cu1119.40 (9)
O16A—Cu1—N2297.89 (5)C14A—O16A—Cu1125.20 (9)
O15B—Cu1—N22101.10 (4)O18A—N17A—O19A123.80 (12)
O15A—Cu1—N2293.50 (4)O18A—N17A—C4A118.00 (12)
O16B—Cu1—Cu1i83.35 (3)O19A—N17A—C4A118.21 (11)
O16A—Cu1—Cu1i81.95 (3)C6B—C1B—C2B118.05 (12)
O15B—Cu1—Cu1i84.98 (3)C6B—C1B—S7B120.91 (10)
O15A—Cu1—Cu1i86.45 (3)C2B—C1B—S7B121.02 (10)
N22—Cu1—Cu1i173.92 (4)C3B—C2B—C1B119.99 (12)
C21—C20—H20A109.5C3B—C2B—C14B117.13 (12)
C21—C20—H20B109.5C1B—C2B—C14B122.86 (12)
H20A—C20—H20B109.5C4B—C3B—C2B119.77 (12)
C21—C20—H20C109.5C4B—C3B—H3B120.1
H20A—C20—H20C109.5C2B—C3B—H3B120.1
H20B—C20—H20C109.5C3B—C4B—C5B121.79 (13)
N22—C21—C20179.27 (17)C3B—C4B—N17B118.98 (12)
C21—N22—Cu1142.80 (12)C5B—C4B—N17B119.22 (12)
C6A—C1A—C2A118.39 (12)C6B—C5B—C4B118.55 (12)
C6A—C1A—S7A122.63 (10)C6B—C5B—H5B120.7
C2A—C1A—S7A118.97 (10)C4B—C5B—H5B120.7
C3A—C2A—C1A120.17 (12)C5B—C6B—C1B121.77 (13)
C3A—C2A—C14A116.23 (12)C5B—C6B—H6B119.1
C1A—C2A—C14A123.60 (12)C1B—C6B—H6B119.1
C4A—C3A—C2A119.31 (13)C1B—S7B—C8B101.35 (6)
C4A—C3A—H3A120.3C13B—C8B—C9B120.08 (13)
C2A—C3A—H3A120.3C13B—C8B—S7B120.24 (11)
C3A—C4A—C5A121.98 (12)C9B—C8B—S7B119.66 (11)
C3A—C4A—N17A118.85 (12)C10B—C9B—C8B119.76 (14)
C5A—C4A—N17A119.13 (12)C10B—C9B—H9B120.1
C6A—C5A—C4A118.65 (13)C8B—C9B—H9B120.1
C6A—C5A—H5A120.7C11B—C10B—C9B120.33 (14)
C4A—C5A—H5A120.7C11B—C10B—H10B119.8
C5A—C6A—C1A121.35 (13)C9B—C10B—H10B119.8
C5A—C6A—H6A119.3C10B—C11B—C12B119.85 (14)
C1A—C6A—H6A119.3C10B—C11B—H11B120.1
C1A—S7A—C8A102.32 (6)C12B—C11B—H11B120.1
C9A—C8A—C13A120.39 (13)C11B—C12B—C13B120.19 (14)
C9A—C8A—S7A118.87 (11)C11B—C12B—H12B119.9
C13A—C8A—S7A120.69 (11)C13B—C12B—H12B119.9
C8A—C9A—C10A119.57 (13)C12B—C13B—C8B119.66 (14)
C8A—C9A—H9A120.2C12B—C13B—H13B120.2
C10A—C9A—H9A120.2C8B—C13B—H13B120.2
C11A—C10A—C9A119.95 (14)O16B—C14B—O15Bi126.33 (12)
C11A—C10A—H10A120.0O16B—C14B—C2B116.29 (12)
C9A—C10A—H10A120.0O15Bi—C14B—C2B117.37 (12)
C12A—C11A—C10A120.55 (14)C14Bi—O15B—Cu1121.32 (9)
C12A—C11A—H11A119.7C14B—O16B—Cu1123.77 (9)
C10A—C11A—H11A119.7O18B—N17B—O19B123.72 (12)
C11A—C12A—C13A119.84 (14)O18B—N17B—C4B118.56 (12)
C11A—C12A—H12A120.1O19B—N17B—C4B117.72 (12)
C13A—C12A—H12A120.1
C6A—C1A—C2A—C3A2.85 (19)C6B—C1B—C2B—C3B2.74 (19)
S7A—C1A—C2A—C3A178.32 (10)S7B—C1B—C2B—C3B175.48 (10)
C6A—C1A—C2A—C14A177.17 (12)C6B—C1B—C2B—C14B178.72 (12)
S7A—C1A—C2A—C14A1.66 (18)S7B—C1B—C2B—C14B3.05 (18)
C1A—C2A—C3A—C4A0.4 (2)C1B—C2B—C3B—C4B0.8 (2)
C14A—C2A—C3A—C4A179.61 (12)C14B—C2B—C3B—C4B179.46 (12)
C2A—C3A—C4A—C5A3.2 (2)C2B—C3B—C4B—C5B1.8 (2)
C2A—C3A—C4A—N17A178.95 (12)C2B—C3B—C4B—N17B177.03 (12)
C3A—C4A—C5A—C6A2.6 (2)C3B—C4B—C5B—C6B2.4 (2)
N17A—C4A—C5A—C6A179.52 (12)N17B—C4B—C5B—C6B176.42 (12)
C4A—C5A—C6A—C1A0.8 (2)C4B—C5B—C6B—C1B0.4 (2)
C2A—C1A—C6A—C5A3.4 (2)C2B—C1B—C6B—C5B2.1 (2)
S7A—C1A—C6A—C5A177.77 (11)S7B—C1B—C6B—C5B176.08 (11)
C6A—C1A—S7A—C8A7.14 (13)C6B—C1B—S7B—C8B5.99 (13)
C2A—C1A—S7A—C8A171.63 (11)C2B—C1B—S7B—C8B172.19 (11)
C1A—S7A—C8A—C9A108.76 (12)C1B—S7B—C8B—C13B89.83 (12)
C1A—S7A—C8A—C13A73.62 (12)C1B—S7B—C8B—C9B92.16 (12)
C13A—C8A—C9A—C10A0.5 (2)C13B—C8B—C9B—C10B3.4 (2)
S7A—C8A—C9A—C10A178.11 (11)S7B—C8B—C9B—C10B178.58 (12)
C8A—C9A—C10A—C11A1.5 (2)C8B—C9B—C10B—C11B0.5 (2)
C9A—C10A—C11A—C12A1.5 (2)C9B—C10B—C11B—C12B2.1 (2)
C10A—C11A—C12A—C13A0.6 (2)C10B—C11B—C12B—C13B1.7 (2)
C11A—C12A—C13A—C8A2.6 (2)C11B—C12B—C13B—C8B1.2 (2)
C9A—C8A—C13A—C12A2.6 (2)C9B—C8B—C13B—C12B3.7 (2)
S7A—C8A—C13A—C12A179.85 (11)S7B—C8B—C13B—C12B178.26 (11)
C3A—C2A—C14A—O15Ai138.82 (13)C3B—C2B—C14B—O16B162.85 (12)
C1A—C2A—C14A—O15Ai41.16 (18)C1B—C2B—C14B—O16B18.58 (19)
C3A—C2A—C14A—O16A39.11 (17)C3B—C2B—C14B—O15Bi17.83 (18)
C1A—C2A—C14A—O16A140.91 (13)C1B—C2B—C14B—O15Bi160.74 (13)
O15Ai—C14A—O16A—Cu15.3 (2)O15Bi—C14B—O16B—Cu16.7 (2)
C2A—C14A—O16A—Cu1172.44 (8)C2B—C14B—O16B—Cu1172.57 (9)
C3A—C4A—N17A—O18A179.13 (13)C3B—C4B—N17B—O18B172.27 (13)
C5A—C4A—N17A—O18A2.94 (19)C5B—C4B—N17B—O18B8.87 (19)
C3A—C4A—N17A—O19A0.73 (19)C3B—C4B—N17B—O19B8.25 (19)
C5A—C4A—N17A—O19A177.20 (13)C5B—C4B—N17B—O19B170.61 (13)
Symmetry code: (i) x+1, y+2, z.
Hydrogen-bond geometry (Å, º) top
Cg4 is the centroid of the C8B–C13B ring.
D—H···AD—HH···AD···AD—H···A
C6B—H6B···O18Aii0.952.653.2785 (17)124
C9B—H9B···O19Biii0.952.393.2351 (19)148
C10—H10A···Cg4iv0.952.633.4171 (17)140
Symmetry codes: (ii) x+1, y+1, z+1; (iii) x+1, y+2, z+1; (iv) x+1, y+1, z.
 

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