Information card for entry 4326708

Structure parameters

• Formula: C14 H11.5 Cl0.5 Cu2.5 N6 O7
• Calculated formula: C14 H11.5 Cl0.5 Cu2.5 N6 O7
• 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: 23.9647 ± 0.001 Å
• b: 23.9647 ± 0.001 Å
• c: 40.979 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 20381.5 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1563
• Weighted residual factors for all reflections included in the refinement: 0.1669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No