Information card for entry 7011080

Structure parameters

• Formula: C12 H18 N4 Ni O3
• Calculated formula: C12 H18 N4 Ni O3
• SMILES: [Ni]123[N]4CCCC=4C(=O)N1CCN2C(=O)C1=[N]3CCC1.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: 9.748 ± 0.001 Å
• b: 9.923 ± 0.001 Å
• c: 8.383 ± 0.001 Å
• α: 105.53 ± 0.01°
• β: 104.4 ± 0.01°
• γ: 112.37 ± 0.01°
• Cell volume: 664.2 ± 0.17 ų
• Cell temperature: 294.2 K
• Ambient diffraction temperature: 294.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.0599
• Goodness-of-fit parameter for all reflections: 3.325
• Goodness-of-fit parameter for significantly intense reflections: 3.325
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No