Information card for entry 2230762

Structure parameters

• Chemical name: {4,4'-Dichloro-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}nickel(II)
• Formula: C19 H18 Cl2 N2 Ni O2
• Calculated formula: C19 H18 Cl2 N2 Ni O2
• SMILES: c12ccc(cc1C=[N]1CC(C)(C)C[N]3=Cc4cc(ccc4O[Ni]13O2)Cl)Cl
• Title of publication: {4,4'-Dichloro-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}nickel(II)
• Authors of publication: Kargar, Hadi; Kia, Reza; Pahlavani, Elham; Tahir, Muhammad Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m941
• a: 6.9781 ± 0.0003 Å
• b: 23.2517 ± 0.0011 Å
• c: 11.8395 ± 0.0005 Å
• α: 90°
• β: 105.828 ± 0.003°
• γ: 90°
• Cell volume: 1848.16 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes