Information card for entry 7210227

Structure parameters

• Formula: C72 H76 Cl3 Cu7 Mo2 N24 O8 S8
• Calculated formula: C72 H75.9996 Cl3 Cu7 Mo2 N24 O8 S8
• Title of publication: Anion-selectivity of cationic cluster‒organic nanospheres based on a nest-shaped [MS4Cu3X3] clustermonomer with a ditopic ligand
• Authors of publication: Qin, Ling; Pan, Zhaorui; Qian, Liwu; Li, Yizhi; Guo, Zijian; Zheng, Hegen
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 25
• Pages of publication: 5016
• a: 16.817 ± 0.002 Å
• b: 16.817 ± 0.002 Å
• c: 22.226 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5443.6 ± 1.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 8
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No