Information card for entry 7210382

Structure parameters

• Formula: C58 H46 N4 O16 Zn2
• Calculated formula: C58 H42 N4 O16 Zn2
• Title of publication: A series of MOFs based on a tricarboxylic acid and various N-donor ligands: syntheses, structures, and properties
• Authors of publication: Du, Peng; Yang, Yan; Yang, Jin; Liu, Ying-Ying; Kan, Wei-Qiu; Ma, Jian-Fang
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 35
• Pages of publication: 6986
• a: 10.5387 ± 0.0008 Å
• b: 10.7309 ± 0.0008 Å
• c: 12.8111 ± 0.0014 Å
• α: 105.788 ± 0.008°
• β: 108.142 ± 0.008°
• γ: 98.441 ± 0.006°
• Cell volume: 1281.7 ± 0.2 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: 0.0977
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No