Information card for entry 4326707

Structure parameters

• Formula: C56 H112 Cu8 N24 O60
• Calculated formula: C56 H112.16 Cu8 N24 O60.08
• Title of publication: Solvent Induced Diverse Dimensional Coordination Assemblies of Cupric Benzotriazole-5-carboxylate: Syntheses, Crystal Structures, and Magnetic Properties
• Authors of publication: Juan Xiao; Bao-Yu Liu; Gang Wei; Xiao-Chun Huang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 11032 - 11038
• a: 28.4502 ± 0.0018 Å
• b: 28.4502 ± 0.0018 Å
• c: 7.149 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5786.5 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1923
• Weighted residual factors for all reflections included in the refinement: 0.2106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No