Information card for entry 2020088

Structure parameters

• Chemical name: Poly[sesqui(μ~2~-4,4'-bipyridine)bis(dimethylformamide)bis(μ~4~-4,4',4''-nitrilotribenzoato)trizinc(II)]
• Formula: C63 H50 N7 O14 Zn3
• Calculated formula: C63 H50 N7 O14 Zn3
• Title of publication: A zinc(II) metal‒organic framework with a novel topology formed from 4,4',4''-nitrilotribenzoate and 4,4'-bipyridine ligands
• Authors of publication: Zhao, Meng; Su, Jian; Zhang, Jun; Wu, Jie-Ying; Tian, Yu-Peng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 9
• a: 13.6198 ± 0.0019 Å
• b: 13.962 ± 0.002 Å
• c: 26.646 ± 0.004 Å
• α: 85.035 ± 0.002°
• β: 89.776 ± 0.002°
• γ: 86.223 ± 0.002°
• Cell volume: 5037 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1003
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.2014
• Weighted residual factors for all reflections included in the refinement: 0.2163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes