Information card for entry 2235249

Structure parameters

• Chemical name: {4,4',6,6'-Tetrabromo-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}nickel(II)
• Formula: C19 H16 Br4 N2 Ni O2
• Calculated formula: C19 H16 Br4 N2 Ni O2
• SMILES: c12c(cc(cc2C=[N]2CC(C[N]3=Cc4c(c(cc(c4)Br)Br)O[Ni]23O1)(C)C)Br)Br
• Title of publication: {4,4',6,6'-Tetrabromo-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}nickel(II)
• Authors of publication: Kargar, Hadi; Kia, Reza; Tahir, Muhammad Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m753
• a: 16.1125 ± 0.0011 Å
• b: 15.4789 ± 0.0012 Å
• c: 8.4734 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2113.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes