Information card for entry 2234137

Structure parameters

• Chemical name: {4,4',6,6'-Tetrabromo-2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato}copper(II)
• Formula: C19 H16 Br4 Cu N2 O2
• Calculated formula: C19 H16 Br4 Cu N2 O2
• SMILES: c12c(cc(cc1C=[N]1CC(C)(C[N]3[Cu]1(O2)Oc1c(cc(cc1C=3)Br)Br)C)Br)Br
• Title of publication: {4,4',6,6'-Tetrabromo-2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato}copper(II)
• Authors of publication: Kargar, Hadi; Kia, Reza; Haghshenas, Mahbubeh; Tahir, Muhammad Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m392
• a: 16.3594 ± 0.0008 Å
• b: 15.5106 ± 0.0008 Å
• c: 8.4686 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2148.86 ± 0.18 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: 0.0786
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes