Information card for entry 4507352

Structure parameters

• Formula: C22 H16 Br2 Co N4 O10 S0
• Calculated formula: C22 H16 Br2 Co N4 O10
• 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: 9.8824 ± 0.0015 Å
• b: 13.76 ± 0.002 Å
• c: 9.9776 ± 0.0014 Å
• α: 90°
• β: 113.223 ± 0.002°
• γ: 90°
• Cell volume: 1246.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.034
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No