Information card for entry 2233556

Structure parameters

• Chemical name: {4,4',6,6'-Tetrachloro-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]}nickel(II)
• Formula: C19 H16 Cl4 N2 Ni O2
• Calculated formula: C19 H16 Cl4 N2 Ni O2
• SMILES: c12c(cc(cc1C=[N]1CC(C)(C)C[N]3=Cc4cc(cc(c4O[Ni]13O2)Cl)Cl)Cl)Cl
• Title of publication: {4,4',6,6'-Tetrachloro-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]}nickel(II)
• Authors of publication: Kargar, Hadi; Kia, Reza; Abbasian, Saeideh; Tahir, Muhammad Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: m193
• a: 12.4019 ± 0.0008 Å
• b: 8.1883 ± 0.0006 Å
• c: 20.3945 ± 0.0013 Å
• α: 90°
• β: 96.68 ± 0.003°
• γ: 90°
• Cell volume: 2057 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.1405
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes