Information card for entry 4512897

Structure parameters

• Formula: C53 H44 N4 Ni2 O16
• Calculated formula: C53 H44 N4 Ni2 O16
• Title of publication: Photochemical and Magnetic Properties of Seven New Metal‒Organic Frameworks Constructed by Flexible Tetrapyridines and V-Shaped Polycarboxylate Acids
• Authors of publication: Hu, Jin-Song; Huang, Xin-Hua; Pan, Cheng-Ling; Zhang, Lei
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 5
• Pages of publication: 2272
• a: 46.352 ± 0.013 Å
• b: 10.619 ± 0.003 Å
• c: 23.508 ± 0.007 Å
• α: 90°
• β: 95.291 ± 0.005°
• γ: 90°
• Cell volume: 11522 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0894
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No