Information card for entry 4507353

Structure parameters

• Formula: C22 H13 Br2 Cd1.5 N4 O9
• Calculated formula: C22 H13 Br2 Cd1.5 N4 O9
• Title of publication: Construction and Properties of Six Metal‒Organic Frameworks Based on the Newly Designed 2-(p-Bromophenyl)-Imidazole Dicarboxylate Ligand
• Authors of publication: Zhang, Yu; Guo, Beibei; Li, Li; Liu, Shaofeng; Li, Gang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 367
• a: 8.7083 ± 0.0007 Å
• b: 10.166 ± 0.0007 Å
• c: 14.8129 ± 0.0011 Å
• α: 74.995 ± 0.001°
• β: 89.915 ± 0.001°
• γ: 72.97 ± 0.001°
• Cell volume: 1207.18 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No