Information card for entry 7210377

Structure parameters

• Formula: C50 H43.5 N O15.25 Zn3
• Calculated formula: C50 H32.5 N O15.25 Zn3
• 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: 13.137 ± 0.0007 Å
• b: 15.3527 ± 0.0007 Å
• c: 24.3497 ± 0.0011 Å
• α: 90°
• β: 105.103 ± 0.005°
• γ: 90°
• Cell volume: 4741.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1089
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No