Information card for entry 4305256

Structure parameters

• Formula: C16 H28 Cu N6 O8
• Calculated formula: C16 H28 Cu N6 O8
• SMILES: C1(=O)C[N]2(CCC(N)=[O][Cu]342([N](CC(=O)O3)(CCC(N)=[O]4)CCC#N)O1)CCC#N.O.O
• 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: 8.5659 ± 0.0003 Å
• b: 11.5298 ± 0.0005 Å
• c: 10.9835 ± 0.0004 Å
• α: 90°
• β: 99.085 ± 0.001°
• γ: 90°
• Cell volume: 1071.16 ± 0.07 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No