Information card for entry 7029197

Structure parameters

• Formula: C100 H74 N16 O17 Zn4
• Calculated formula: C100 H74 N16 O17 Zn4
• Title of publication: Five metal-organic frameworks from 3,4-dimethylphenyl substituted imidazole dicarboxylate: syntheses, structures and properties.
• Authors of publication: Jia, Hongliang; Li, Yanlin; Xiong, Zhifang; Wang, Chengjie; Li, Gang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 9
• Pages of publication: 3704 - 3715
• a: 18.737 ± 0.002 Å
• b: 20.667 ± 0.003 Å
• c: 23.441 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9077 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1901
• Residual factor for significantly intense reflections: 0.0828
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No