Information card for entry 2013189

Structure parameters

• Chemical name: Dibromo(pyridoxal semicarbazone-κ^3^N^1^,O^3^,O^3'^)copper(II)
• Formula: C9 H12 Br2 Cu N4 O3
• Calculated formula: C9 H12 Br2 Cu N4 O3
• SMILES: Br[Cu]12(Br)[O]=C(N[N]2=Cc2c(O1)c([nH+]cc2CO)C)N
• Title of publication: Dibromo(pyridoxal semicarbazone-κ^3^<i>N</i>^1^,<i>O</i>^3^,<i>O</i>^3'^)copper(II)
• Authors of publication: Poleti, Dejan; Karanović, Ljiljana; Leovac, Vukadin M.; Jevtović, Violeta S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 3
• Pages of publication: m73 - m75
• a: 7.5764 ± 0.001 Å
• b: 8.7614 ± 0.0011 Å
• c: 10.8154 ± 0.0014 Å
• α: 92.965 ± 0.003°
• β: 97.881 ± 0.002°
• γ: 108.709 ± 0.003°
• Cell volume: 670.05 ± 0.15 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 293 ± 2 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: 0.061
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 0.852
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes