Information card for entry 2010813

Structure parameters

• Chemical name: [N,N'-Bis(5-bromosalicylidene)-o-phenylenediamine]copper(II)
• Formula: C20 H12 Br2 Cu N2 O2
• Calculated formula: C20 H12 Br2 Cu N2 O2
• SMILES: c12ccc(cc1C=[N]1c3ccccc3[N]3=Cc4cc(ccc4O[Cu]13O2)Br)Br
• Title of publication: [<i>N</i>,<i>N</i>'-Bis(5-bromosalicylidene)-<i>o</i>-phenylenediaminato]copper(II)
• Authors of publication: Elmali, Ayhan; Elerman, Yalc̨in; Svoboda, Ingrid
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 4
• Pages of publication: 423 - 424
• a: 12.114 ± 0.001 Å
• b: 8.095 ± 0.002 Å
• c: 18.538 ± 0.006 Å
• α: 90°
• β: 106.3 ± 0.01°
• γ: 90°
• Cell volume: 1744.8 ± 0.7 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.11
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections: 1.017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes