Information card for entry 4502744

Structure parameters

• Formula: C78 H76 N6 Ni2 O17
• Calculated formula: C78 H76 N6 Ni2 O17
• Title of publication: A Series of Four-Connected Entangled Metal‒Organic Frameworks Assembled from Pamoic Acid and Pyridine-Containing Ligands: Interpenetrating, Self-Penetrating, and Supramolecular Isomerism
• Authors of publication: Wang, Suna; Yun, Ruirui; Peng, Yanqiang; Zhang, Qingfu; Lu, Jing; Dou, Jianmin; Bai, Junfeng; Li, Dacheng; Wang, Daqi
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 79
• a: 13.983 ± 0.0012 Å
• b: 29.496 ± 0.003 Å
• c: 34.577 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14261 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.2803
• Residual factor for significantly intense reflections: 0.1815
• Weighted residual factors for significantly intense reflections: 0.4329
• Weighted residual factors for all reflections included in the refinement: 0.4953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.365
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No