Information card for entry 4310577

Structure parameters

• Formula: C20 H24 N2 Ni O12
• Calculated formula: C20 H24 N2 Ni O12
• SMILES: [Ni](OC1=C(C(=O)C1=O)Nc1ccccc1)(OC1=C(C(=O)C1=O)Nc1ccccc1)([OH2])([OH2])([OH2])[OH2].O.O
• Title of publication: Synthesis, Structure, and Magnetochemical Analysis of Selected First-Row Transition-Metal Anilino- and Anisolesquarate Compounds
• Authors of publication: Patrice M. T. Piggot; Lincoln A. Hall; Andrew J. P. White; David J. Williams; Laurence K. Thompson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1167 - 1174
• a: 12.4987 ± 0.0003 Å
• b: 9.2437 ± 0.0002 Å
• c: 40.2057 ± 0.0014 Å
• α: 90°
• β: 97.4167 ± 0.001°
• γ: 90°
• Cell volume: 4606.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0468
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.0775
• Goodness-of-fit parameter for all reflections: 1.046
• Goodness-of-fit parameter for significantly intense reflections: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No