Information card for entry 2219274

Structure parameters

• Chemical name: Hexakis(2-amino-4-methylpyridine-κN^1^)dioxidohexa-μ~4~-sulfido-\ hexacopper(I)divanadium(V)
• Formula: C36 H48 Cu6 N12 O2 S6 V2
• Calculated formula: C36 H48 Cu6 N12 O2 S6 V2
• SMILES: c1(cc(cc[n]1[Cu]12345S67[V]89%10%11(S%12%13[Cu]%14%15%16%17([n]%18c(cc(cc%18)C)N)[V]%18%191(=O)([Cu]1%20%21%22([n]%23c(cc(cc%23)C)N)S8([Cu]9%12%16%21([n]8c(cc(cc8)C)N)S%14%181)[Cu]46%10%22([n]1c(cc(cc1)C)N)S2%19%20)S3%15[Cu]57%11%13%17[n]1c(cc(cc1)C)N)=O)C)N
• Title of publication: Hexakis(2-amino-4-methylpyridine-κ<i>N</i>^1^)dioxidohexa-μ~4~-sulfido-hexacopper(I)divanadium(V)
• Authors of publication: Yu, Zhang; Tang, Guodong; Zhao, Jianying; Jiang, Zhengjing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: m1217
• a: 14.139 ± 0.002 Å
• b: 14.139 ± 0.002 Å
• c: 20.83 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3606.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0929
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes