Information card for entry 7055322

Structure parameters

• Formula: C18 H12 Ni3 O16
• Calculated formula: C18 H12 Ni3 O16
• Title of publication: Cluster- and chain-based magnetic MOFs derived from 3d metal ions and 1,3,5-benzenetricarboxylate
• Authors of publication: Liu, Sui-Jun; Han, Song-De; Chang, Ze; Bu, Xian-He
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 3
• Pages of publication: 2680
• a: 9.787 ± 0.002 Å
• b: 12.157 ± 0.002 Å
• c: 15.182 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1806.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 44
• Hermann-Mauguin space group symbol: I m m 2
• Hall space group symbol: I 2 -2
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No