Information card for entry 4512899

Structure parameters

• Formula: C57 H50 Cd2 N6 O12
• Calculated formula: C57 H50 Cd2 N6 O12
• 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: 21.6968 ± 0.0019 Å
• b: 18.675 ± 0.0017 Å
• c: 35.58 ± 0.003 Å
• α: 90°
• β: 99.472 ± 0.002°
• γ: 90°
• Cell volume: 14220 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0925
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No