Information card for entry 2235625

Structure parameters

• Chemical name: {4,4',6,6'-Tetraiodo-2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato}nickel(II)
• Formula: C19 H16 I4 N2 Ni O2
• Calculated formula: C19 H16 I4 N2 Ni O2
• SMILES: c12c(cc(cc2C=[N]2CC(C[N]3=Cc4c(c(cc(c4)I)I)O[Ni]23O1)(C)C)I)I
• Title of publication: {4,4',6,6'-Tetraiodo-2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato}nickel(II)
• Authors of publication: Kargar, Hadi; Kia, Reza; Shakarami, Tayebeh; Tahir, Muhammad Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m935
• a: 16.682 ± 0.002 Å
• b: 15.9978 ± 0.0019 Å
• c: 8.792 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2346.4 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0869
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes