Information card for entry 8106143

Structure parameters

• Formula: C18 H22 N4 Ni O6
• Calculated formula: C18 H22 N4 Ni O6
• SMILES: [Ni]12([n]3c(C(=[N]1O)C)cccc3)([n]1c(C(=[N]2O)C)cccc1)(OC(=O)C)OC(=O)C
• Title of publication: Crystal structure of bis(acetato-κO)-bis(1-(pyridin-2-yl)ethan-1-one oxime-κ2 N,N′)nickel(II), C18H22N4NiO6
• Authors of publication: Zuo, Jian
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 2
• Pages of publication: 329 - 330
• a: 9.3398 ± 0.0013 Å
• b: 9.9707 ± 0.0011 Å
• c: 12.0063 ± 0.0018 Å
• α: 89.829 ± 0.003°
• β: 71.931 ± 0.002°
• γ: 74.243 ± 0.002°
• Cell volume: 1019 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0653
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No