Information card for entry 4338097

Structure parameters

• Formula: C14 H14 Br7 Cu6 N2 O5
• Calculated formula: C14 H14 Br7 Cu6 N2 O5
• 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: 11.007 ± 0.003 Å
• b: 22.483 ± 0.005 Å
• c: 12.325 ± 0.003 Å
• α: 90°
• β: 98.604 ± 0.005°
• γ: 90°
• Cell volume: 3015.7 ± 1.3 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: 0.1378
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.2067
• Weighted residual factors for all reflections included in the refinement: 0.2494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No