Information card for entry 7011082

Structure parameters

• Formula: C17 H26 N4 Ni O4
• Calculated formula: C17 H26 N4 Ni O4
• SMILES: [Ni]123N(c4c(N2C(=O)[C@H]2[NH]1CCC2)cccc4)C(=O)[C@H]1[NH]3CCC1.OC.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: 11.76 ± 0.002 Å
• b: 18.409 ± 0.003 Å
• c: 8.571 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1855.5 ± 0.6 ų
• Cell temperature: 294 ± 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: 0.0373
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No