Information card for entry 4507231

Structure parameters

• Formula: C86 H70 Mg3 N4 O16
• Calculated formula: C86 H70 Mg3 N4 O16
• 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: 8.4319 ± 0.0009 Å
• b: 12.8251 ± 0.0013 Å
• c: 20.924 ± 0.005 Å
• α: 73.462 ± 0.016°
• β: 84.692 ± 0.013°
• γ: 78.307 ± 0.009°
• Cell volume: 2122.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0994
• Residual factor for significantly intense reflections: 0.0921
• Weighted residual factors for significantly intense reflections: 0.2274
• Weighted residual factors for all reflections included in the refinement: 0.2306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No