Information card for entry 7011081

Structure parameters

• Formula: C16 H32 N4 Ni O5
• Calculated formula: C16 H32 N4 Ni O5
• SMILES: [Ni]123[NH]4CCC[C@H]4C(=O)N1[C@@H]1CCCC[C@H]1N2C(=O)[C@H]1[NH]3CCC1.O.O.O
• Title of publication: Nickel(II) complexes with amide ligands: oxidative dehydrogenation of the amines in a tetradentate diamide–diamine ligand
• Authors of publication: Colin L. Weeks; Peter Turner; Ronald R. Fenton; Peter A. Lay
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 6
• Pages of publication: 931 - 940
• a: 9.0175 ± 0.0003 Å
• b: 10.1232 ± 0.0003 Å
• c: 21.1448 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1930.22 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No