Information card for entry 7220124

Structure parameters

• Formula: C80 H56 N12 Ni3 O18
• Calculated formula: C80 H56 N12 Ni3 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: 12.2234 ± 0.0004 Å
• b: 10.2921 ± 0.0004 Å
• c: 28.1648 ± 0.001 Å
• α: 90°
• β: 98.6459 ± 0.0011°
• γ: 90°
• Cell volume: 3503 ± 0.2 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: 0.0365
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No