Information card for entry 4326706

Structure parameters

• Formula: C7 H7 Cu N3 O4
• Calculated formula: C7 H7 Cu N3 O4
• 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: 6.9797 ± 0.0014 Å
• b: 19.094 ± 0.004 Å
• c: 7.5079 ± 0.0015 Å
• α: 90°
• β: 114.759 ± 0.003°
• γ: 90°
• Cell volume: 908.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0775
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No