Information card for entry 2007758

Structure parameters

• Formula: C32 H34 Cu2 N14 O2 S4
• Calculated formula: C32 H34 Cu2 N14 O2 S4
• SMILES: C1(=N[N]2[Cu]3([n]4ccccc4C=2c2[n](cccc2)[Cu]24([N](=C(c5cccc[n]25)c2[n]3cccc2)N=C(N)S4)N=C=S)(N=C=S)S1)N.O=CN(C)C.N(C=O)(C)C
• Title of publication: Bis[μ-(di-2-pyridyl ketone thiosemicarbazonato-<i>N</i>^1^,<i>N</i>'',<i>S</i>:<i>N</i>')]bis[(isothiocyanato-<i>N</i>)copper(II)] Bis(dimethylformamide) Solvate
• Authors of publication: Chun-Ying, Duan; Xiao-Zeng, You; T.C.W.Mak
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1395 - 1397
• a: 8.34 ± 0.002 Å
• b: 11.6 ± 0.002 Å
• c: 20.898 ± 0.003 Å
• α: 90°
• β: 101.27 ± 0.03°
• γ: 90°
• Cell volume: 1982.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for all reflections: 0.1207
• Weighted residual factors for significantly intense reflections: 0.1033
• Goodness-of-fit parameter for all reflections: 1.118
• Goodness-of-fit parameter for significantly intense reflections: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No