Information card for entry 4310581

Structure parameters

• Formula: C22 H26 Ni O14
• Calculated formula: C22 H26 Ni O14
• SMILES: C1(=O)C(=O)C([O-])=C1c1ccc(OC)cc1.[Ni]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].C1(=O)C(=O)C([O-])=C1c1ccc(cc1)OC
• 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: 6.6536 ± 0.0005 Å
• b: 8.3936 ± 0.0009 Å
• c: 22.297 ± 0.002 Å
• α: 90°
• β: 91.58 ± 0.005°
• γ: 90°
• Cell volume: 1244.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.1253
• Weighted residual factors for significantly intense reflections: 0.1104
• Goodness-of-fit parameter for all reflections: 1.108
• Goodness-of-fit parameter for significantly intense reflections: 1.19
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No