Information card for entry 2238107

Structure parameters

• Chemical name: Bis[2,4-dibromo-6-(<i>N</i>-{4-[(<i>E</i>)-1-(benzyloxyimino)ethyl]phenyl}carboximidoyl)phenolato]copper(II)
• Formula: C44 H34 Br4 Cu N4 O4
• Calculated formula: C44 H34 Br4 Cu N4 O4
• SMILES: [Cu]12(Oc3c(C=[N]1c1ccc(/C(=N/OCc4ccccc4)C)cc1)cc(Br)cc3Br)[N](=Cc1c(O2)c(Br)cc(Br)c1)c1ccc(/C(=N/OCc2ccccc2)C)cc1
• Title of publication: Bis[2,4-dibromo-6-(<i>N</i>-{4-[(<i>E</i>)-1-(benzyloxyimino)ethyl]phenyl}carboximidoyl)phenolato]copper(II)
• Authors of publication: Li, Xiao-Bing; Li, Xiao-Jun; Meng, Wei-Sheng; Zhang, Yu-Jie; Li, Gang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: m267
• a: 27.4484 ± 0.0007 Å
• b: 13.3116 ± 0.0003 Å
• c: 22.3609 ± 0.0005 Å
• α: 90°
• β: 91.165 ± 0.002°
• γ: 90°
• Cell volume: 8168.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0827
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes