Information card for entry 7220123

Structure parameters

• Formula: C22 H18 Ni O11
• Calculated formula: C22 H18 Ni O11
• 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: 7.7017 ± 0.0003 Å
• b: 22.7746 ± 0.0007 Å
• c: 11.5195 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2020.56 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.0506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No