Information card for entry 2240418

Structure parameters

• Chemical name: Bis(2-{[(3-bromopropyl)imino]methyl}phenolato-κ^2^<i>N</i>,<i>O</i>)copper(II)
• Formula: C20 H22 Br2 Cu N2 O2
• Calculated formula: C20 H22 Br2 Cu N2 O2
• SMILES: [Cu]12([N](CCCBr)=Cc3ccccc3O1)[N](=Cc1ccccc1O2)CCCBr
• Title of publication: Crystal structure of bis(2-{[(3-bromopropyl)imino]methyl}phenolato-κ^2^<i>N</i>,<i>O</i>)copper(II)
• Authors of publication: Ourari, Ali; Zoubeidi, Chahinaz; Bouacida, Sofiane; Derafa, Wassila; Merazig, Hocine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: m33 - m34
• a: 10.6478 ± 0.0004 Å
• b: 7.199 ± 0.0003 Å
• c: 13.9283 ± 0.0005 Å
• α: 90°
• β: 104.9 ± 0.002°
• γ: 90°
• Cell volume: 1031.75 ± 0.07 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0447
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes