Information card for entry 8102829

Structure parameters

• Chemical name: bis[2-Bromo-4-chloro-6-((2,4-dimethyl-phenylimino)methyl)phenol]copper(II), Cu(C~15~H~12~BrClNO)~2~
• Formula: C30 H24 Br2 Cl2 Cu N2 O2
• Calculated formula: C30 H24 Br2 Cl2 Cu N2 O2
• SMILES: [Cu]12([N](=Cc3c(O1)c(Br)cc(Cl)c3)c1c(cc(cc1)C)C)[N](=Cc1c(O2)c(Br)cc(Cl)c1)c1c(cc(cc1)C)C
• Title of publication: Crystal structure of bis[2-bromo-4-chloro-6-((2,4-dimethylphenylimino)methyl)phenol]copper(II), Cu(C15H12BrClNO)2
• Authors of publication: Xin-Li Zhang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 4
• Pages of publication: 711
• a: 12.1942 ± 0.0012 Å
• b: 12.2117 ± 0.0012 Å
• c: 19.9335 ± 0.0018 Å
• α: 90°
• β: 94.83 ± 0.001°
• γ: 90°
• Cell volume: 2957.8 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No