Information card for entry 2204915

Structure parameters

• Chemical name: (Acetato-κO)[diacetyl monooxime (4-methoxybenzoyl)hydrazonato- κ^3^O,N,N']bis(pyridine-κN)nickel(II)
• Formula: C24 H27 N5 Ni O5
• Calculated formula: C24 H27 N5 Ni O5
• SMILES: [Ni]12([N](O)=C(C(=[N]1N=C(O2)c1ccc(OC)cc1)C)C)([n]1ccccc1)([n]1ccccc1)OC(=O)C
• Title of publication: (Acetato-κ<i>O</i>)[diacetyl monooxime (4-methoxybenzoyl)hydrazonato-κ^3^<i>O</i>,<i>N</i>,<i>N</i>']bis(pyridine-κ<i>N</i>)nickel(II)
• Authors of publication: Shan Gao; Li-Hua Huo; Zhao-Peng Deng; Hui Zhao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: m152 - m154
• a: 8.1027 ± 0.0016 Å
• b: 12.668 ± 0.003 Å
• c: 13.436 ± 0.003 Å
• α: 110.74 ± 0.03°
• β: 92.41 ± 0.03°
• γ: 103.37 ± 0.03°
• Cell volume: 1243.1 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0641
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes