Information card for entry 4507230

Structure parameters

• Formula: C117 H72 N3 O18 Zn4
• Calculated formula: C117 H72 N3 O18 Zn4
• Title of publication: Stable Mg-Metal‒Organic Framework (MOF) and Unstable Zn-MOF Based on Nanosized Tris((4-carboxyl)phenylduryl)amine Ligand
• Authors of publication: He, Yan-Ping; Tan, Yan-Xi; Zhang, Jian
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 6
• a: 30.1777 ± 0.0017 Å
• b: 21.4903 ± 0.0016 Å
• c: 33.5299 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21745 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1213
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1583
• Weighted residual factors for all reflections included in the refinement: 0.1788
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No