Information card for entry 4502741

Structure parameters

• Formula: C42 H44 N4 O9 Zn
• Calculated formula: C42 H44 N4 O9 Zn
• 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: 13.631 ± 0.0012 Å
• b: 17.3491 ± 0.0016 Å
• c: 20.2809 ± 0.0018 Å
• α: 90°
• β: 119.844 ± 0.002°
• γ: 90°
• Cell volume: 4160.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1418
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.2195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No