Information card for entry 4338094

Structure parameters

• Formula: C12 H12 Br2 Cu3 N2 O8
• Calculated formula: C12 H10 Br2 Cu3 N2 O8
• Title of publication: Tuning of valence States, bonding types, hierarchical structures, and physical properties in copper/halide/isonicotinate system.
• Authors of publication: Liu, Min-Min; Hou, Juan-Juan; Qi, Zhi-Kai; Duan, Li Na; Ji, Wen-Juan; Han, Cai-Yun; Zhang, Xian-Ming
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 4130 - 4143
• a: 9.693 ± 0.009 Å
• b: 13.192 ± 0.013 Å
• c: 7.432 ± 0.007 Å
• α: 90°
• β: 105.632 ± 0.016°
• γ: 90°
• Cell volume: 915.2 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 6
• 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: 0.0281
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No