Information card for entry 4506038

Structure parameters

• Formula: C98 H68 N6 O14 Zn3
• Calculated formula: C98 H68 N6 O14 Zn3
• Title of publication: Microporous Metal‒Organic Framework Based on Mixing Nanosized Tris((4-carboxyl)-phenylduryl)amine and 4,4′-Bipyridine Ligands for Gas Storage and Separation
• Authors of publication: Tan, Yan-Xi; He, Yan-Ping; Zhang, Jian
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 2468
• a: 9.471 ± 0.0011 Å
• b: 17.3579 ± 0.0017 Å
• c: 19.6831 ± 0.0019 Å
• α: 76.227 ± 0.003°
• β: 83.232 ± 0.003°
• γ: 88.407 ± 0.003°
• Cell volume: 3120.9 ± 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: 0.0618
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.2069
• Weighted residual factors for all reflections included in the refinement: 0.2158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No