Information card for entry 4327691

Structure parameters

• Formula: C14 H25 N3 Ni O3
• Calculated formula: C14 H25 N3 Ni O3
• SMILES: [Ni]12([N](O)=C(C(O1)=CC)CC)[N](=C(C(=N2=O)CC)CC)CC
• Title of publication: Characterization and Crystal Structure of Nickel Complexes of Imine Oximes Containing Tautomerized Enolate Ligands
• Authors of publication: James D. Martin; Khalil A. Abboud; Klaus-Hermann Dahmen
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 5811 - 5815
• a: 8.235 ± 0.0001 Å
• b: 14.0895 ± 0.0002 Å
• c: 13.7965 ± 0.0001 Å
• α: 90°
• β: 95.964 ± 0.001°
• γ: 90°
• Cell volume: 1592.1 ± 0.03 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0391
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No