Information card for entry 4310582

Structure parameters

• Formula: C4 H10 Cl2 N2 Ni O2
• Calculated formula: C4 H10 Cl2 N2 Ni O2
• SMILES: [OH2][Ni]([N]#CC)([OH2])(Cl)(Cl)[N]#CC
• 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: 7.7056 ± 0.0003 Å
• b: 7.7561 ± 0.0003 Å
• c: 8.2023 ± 0.0003 Å
• α: 90°
• β: 97.477 ± 0.002°
• γ: 90°
• Cell volume: 486.05 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0268
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for all reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.0543
• Goodness-of-fit parameter for all reflections: 1.099
• Goodness-of-fit parameter for significantly intense reflections: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No