Information card for entry 2018958

Structure parameters

• Chemical name: Di-μ~2~-chlorido-dichloridobis(dimethylformamide)tetrakis[μ~3~-1-(2-oxidobenzoyl)-2-(2-oxo-2-phenylethanethioyl)hydrazine-1,2-diido]octacopper(II) dimethylformamide disolvate
• Formula: C72 H68 Cl4 Cu8 N16 O16 S4
• Calculated formula: C72 H68 Cl4 Cu8 N16 O16 S4
• SMILES: [N]12[N]3=C4O[Cu]2([O]=C(NC=1S[Cu]13[O](c2c4cccc2)[Cu]234[N]5[N]6=C(NC(c7ccccc7)=[O][Cu]6(OC=5c5c([O]12)cccc5)([O]=CN(C)C)[Cl][Cu]125[N]6[N]7=C(NC(=[O][Cu](OC=6c6c([O]2[Cu]2[O]1c1c(C8O[Cu]9([O]=C(NC(S7)=[N]9[N]2=8)c2ccccc2)Cl)cccc1)cccc6)([O]=CN(C)C)[Cl]3)c1ccccc1)S5)S4)c1ccccc1)Cl.N(C=O)(C)C.N(C=O)(C)C
• Title of publication: Di-μ~2~-chlorido-dichloridobis(dimethylformamide)tetrakis[μ~3~-1-(2-oxidobenzoyl)-2-(2-oxo-2-phenylethanethioyl)hydrazine-1,2-diido]octacopper(II) dimethylformamide disolvate
• Authors of publication: Liu, Jian-Jun; Liao, Jian-Zhen; Li, Zuo-Yin; Wang, Yao; Huang, Chang-Cang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: 613 - 615
• a: 9.5672 ± 0.0019 Å
• b: 19.153 ± 0.004 Å
• c: 23.006 ± 0.005 Å
• α: 90°
• β: 101.53 ± 0.03°
• γ: 90°
• Cell volume: 4130.6 ± 1.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.137
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes