Information card for entry 2236218

Structure parameters

• Chemical name: Bis[4-(4-bromophenylimino-κ<i>N</i>)pent-2-en-2-olato-κ<i>O</i>]copper(II)
• Formula: C22 H22 Br2 Cu N2 O2
• Calculated formula: C22 H22 Br2 Cu N2 O2
• SMILES: CC1=CC(C)=[N](c2ccc(cc2)Br)[Cu]2([N](=C(C=C(C)O2)C)c2ccc(cc2)Br)O1
• Title of publication: Bis[4-(4-bromophenylimino-κ<i>N</i>)pent-2-en-2-olato-κ<i>O</i>]copper(II)
• Authors of publication: Bungu, Paul S. E.; Schutte, Marietjie; Steyl, G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: m1373
• a: 12.493 ± 0.003 Å
• b: 11.559 ± 0.004 Å
• c: 15.415 ± 0.004 Å
• α: 90°
• β: 92.306 ± 0.014°
• γ: 90°
• Cell volume: 2224.2 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0501
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes