Information card for entry 7220127

Structure parameters

• Formula: C72 H54 Cu3 N8 O18
• Calculated formula: C72 H54 Cu3 N8 O18
• Title of publication: Hydrothermal Syntheses, Structural Characterizations, and Magnetic Properties of Five MOFs Assembled From C2-Symmetric Ligand of 1,3-Di((2',4'-dicarboxylphenyl)benzene with Various Coodination modes
• Authors of publication: zhang, xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 17.8722 ± 0.001 Å
• b: 10.9304 ± 0.0006 Å
• c: 19.1523 ± 0.0011 Å
• α: 90°
• β: 115.51 ± 0.0016°
• γ: 90°
• Cell volume: 3376.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1161
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No