Information card for entry 8103258

Structure parameters

• Formula: C26 H14 Br2 Cl2 Cu N4 O6
• Calculated formula: C26 H14 Br2 Cl2 Cu N4 O6
• SMILES: [Cu]12([N](=Cc3c(O1)c(Br)cc(Cl)c3)c1cccc(N(=O)=O)c1)Oc1c(cc(Cl)cc1Br)C=[N]2c1cccc(N(=O)=O)c1
• Title of publication: Crystal structure of bis[2-bromo-4-chloro-6-[(3-nitro-phenylimino)methyl]phenol]copper(II), Cu(C13H7BrClN2O3)2
• Authors of publication: Xin-Li Zhang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 4
• Pages of publication: 635
• a: 7.879 ± 0.002 Å
• b: 12.568 ± 0.003 Å
• c: 14.209 ± 0.004 Å
• α: 72.617 ± 0.008°
• β: 82.07 ± 0.009°
• γ: 81.312 ± 0.01°
• Cell volume: 1320.9 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No