Information card for entry 2220246

Structure parameters

• Chemical name: {4,4'-Dibromo-2,2'-[2,2-dimethylpropane-1,3- diylbis(nitrilomethylidyne)]diphenolato- κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}copper(II)
• Formula: C19 H18 Br2 Cu N2 O2
• Calculated formula: C19 H18 Br2 Cu N2 O2
• SMILES: [Cu]123Oc4ccc(Br)cc4C=[N]2CC(C[N]3=Cc2cc(Br)ccc2O1)(C)C
• Title of publication: {4,4'-Dibromo-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}copper(II)
• Authors of publication: Kargar, Hadi; Fun, Hoong-Kun; Kia, Reza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1541 - m1542
• a: 9.1416 ± 0.0003 Å
• b: 9.6398 ± 0.0003 Å
• c: 11.5382 ± 0.0003 Å
• α: 75.21 ± 0.002°
• β: 78.913 ± 0.002°
• γ: 73.435 ± 0.002°
• Cell volume: 934.42 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes