Information card for entry 2224797

Structure parameters

• Chemical name: bis[2-(iminomethyl)phenolato-κ^2^<i>N</i>,<i>O</i>']nickel(II)
• Formula: C14 H12 N2 Ni O2
• Calculated formula: C14 H12 N2 Ni O2
• SMILES: c12O[Ni]3([NH]=Cc2cccc1)[NH]=Cc1c(cccc1)O3
• Title of publication: Redetermination of bis(2-formylphenolato-κ^2^<i>O</i>,<i>O</i>')nickel(II) as bis[2-(iminomethyl)phenolato-κ^2^<i>N</i>,<i>O</i>']nickel(II)
• Authors of publication: Bernès, Sylvain
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: m100
• a: 12.934 ± 0.003 Å
• b: 5.827 ± 0.001 Å
• c: 8.108 ± 0.002 Å
• α: 90°
• β: 95.67 ± 0.03°
• γ: 90°
• Cell volume: 608.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0765
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes