Information card for entry 2232268

Structure parameters

• Chemical name: {2,2'-[<i>o</i>-Phenylenebis(nitrilomethanylylidene)]diphenolato- κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}nickel(II) monohydrate
• Formula: C20 H16 N2 Ni O3
• Calculated formula: C20 H16 N2 Ni O3
• Title of publication: {2,2'-[<i>o</i>-Phenylenebis(nitrilomethanylylidene)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}nickel(II) monohydrate
• Authors of publication: Ghaemi, Akbar; Fayyazi, Kazem; Keyvani, Bahram; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1481 - m1482
• a: 31.5519 ± 0.0013 Å
• b: 31.5519 ± 0.0013 Å
• c: 9.0255 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7781.3 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes