Information card for entry 2020396

Structure parameters

• Chemical name: Di-μ-acetato-bis{μ~4~-1-[(2-oxidophenyl)carbonyl]-2-(propanamidomethanethioyl)hydrazine-1,2-diido}tetracopper(II) dimethylformamide disolvate
• Formula: C32 H40 Cu4 N8 O12 S2
• Calculated formula: C32 H40 Cu4 N8 O12 S2
• SMILES: C12NC(CC)=[O][Cu]345[N]=2[N]2[Cu]6([O](c7ccccc7C=2O4)[Cu]24([N]7=C(NC(=[O]4)CC)S[Cu]4([N]7=C(c7c(cccc7)[O]34)O2)[O]=C(O5)C)[O]=C(O6)C)S1.N(C)(C)C=O.N(C)(C)C=O
• Title of publication: Syntheses and structures of discrete copper(II) and cadmium(II) supramolecular complexes based on 1,4-diacylthiosemicarbazone ligands
• Authors of publication: Jiao, Chen; Zhang, Si-Si; Li, Zuo-Yin; Liu, Jian-Jun; Lin, Mei-Jin; Huang, Chang-Cang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 2
• Pages of publication: 119 - 123
• a: 8.4421 ± 0.0017 Å
• b: 11.435 ± 0.002 Å
• c: 11.909 ± 0.002 Å
• α: 111.67 ± 0.03°
• β: 107.76 ± 0.03°
• γ: 95.87 ± 0.03°
• Cell volume: 987 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes