Information card for entry 4512900

Structure parameters

• Formula: C53 H43 Co2 N4 O18 S2
• Calculated formula: C53 H43 Co2 N4 O18 S2
• 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: 13.59 ± 0.003 Å
• b: 16.408 ± 0.003 Å
• c: 17.371 ± 0.004 Å
• α: 65.056 ± 0.003°
• β: 88.239 ± 0.004°
• γ: 68.768 ± 0.004°
• Cell volume: 3239.5 ± 1.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.1202
• Residual factor for significantly intense reflections: 0.0998
• Weighted residual factors for significantly intense reflections: 0.2084
• Weighted residual factors for all reflections included in the refinement: 0.2189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No