Information card for entry 4305254

Structure parameters

• Formula: C10 H18 N4 Ni O6
• Calculated formula: C10 H18 N4 Ni O6
• SMILES: C1(=O)C[NH](CCC#N)[Ni]2(O1)([NH](CC(=O)O2)CCC#N)([OH2])[OH2]
• Title of publication: Novel Michael Addition Products of Bis(amino acidato)metal(II) Complexes: Synthesis, Characterization, Dye Degradation, and Oxidation Properties
• Authors of publication: V. Rajalakshmi; V. R. Vijayaraghavan; Babu Varghese; A. Raghavan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5821 - 5830
• a: 5.4812 ± 0.0002 Å
• b: 22.7449 ± 0.0008 Å
• c: 6.4258 ± 0.0002 Å
• α: 90°
• β: 110.672 ± 0.002°
• γ: 90°
• Cell volume: 749.52 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No