Information card for entry 7220125

Structure parameters

• Formula: C46 H36 N8 Ni2 O11
• Calculated formula: C46 H32 N8 Ni2 O11.01
• 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: 42.025 ± 0.0014 Å
• b: 11.1915 ± 0.0004 Å
• c: 23.6784 ± 0.0008 Å
• α: 90°
• β: 120.57 ± 0.0009°
• γ: 90°
• Cell volume: 9588.6 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No