Information card for entry 7208762

Structure parameters

• Formula: C24 H14 Br4 Co2 N4 O9
• Calculated formula: C24 H14 Br4 Co2 N4 O9
• Title of publication: Novel metal‒organic frameworks based on 5-bromonicotinic acid: Multifunctional materials with H2 purification capabilities
• Authors of publication: Calahorro, Antonio J.; López-Viseras, Marta E.; Salinas-Castillo, Alfonso; Fairen-Jimenez, David; Colacio, Enrique; Cano, Joan; Rodríguez-Diéguez, Antonio
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 20
• Pages of publication: 6390
• a: 15.0926 ± 0.0018 Å
• b: 16.9747 ± 0.0018 Å
• c: 14.44 ± 0.0016 Å
• α: 90°
• β: 120.52 ± 0.04°
• γ: 90°
• Cell volume: 3186.9 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0923
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.204
• Weighted residual factors for all reflections included in the refinement: 0.2289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No