Information card for entry 2228958

Structure parameters

• Chemical name: Bis[2-(hydroxyiminomethyl)phenolato]nickel(II)
• Formula: C14 H12 N2 Ni O4
• Calculated formula: C14 H12 N2 Ni O4
• SMILES: c12c(C=[N](O)[Ni]3(Oc4c(cccc4)C=[N]3O)O1)cccc2
• Title of publication: Bis[2-(hydroxyiminomethyl)phenolato]nickel(II): a second monoclinic polymorph
• Authors of publication: Rusanova, Julia A.; Buvaylo, Elena A.; Rusanov, Eduard B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m222 - m223
• a: 4.9912 ± 0.0002 Å
• b: 7.4717 ± 0.0003 Å
• c: 17.4152 ± 0.0007 Å
• α: 90°
• β: 90.653 ± 0.003°
• γ: 90°
• Cell volume: 649.42 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes