Information card for entry 2226904

Structure parameters

• Chemical name: Bromido(2-{1-[2-(morpholin-4-yl)ethylimino]ethyl}phenolato)copper(II)
• Formula: C14 H19 Br Cu N2 O2
• Calculated formula: C14 H19 Br Cu N2 O2
• SMILES: [Cu]12(Br)[N](=C(c3c(O2)cccc3)C)CC[N]21CCOCC2
• Title of publication: Bromido(2-{1-[2-(morpholin-4-yl)ethylimino]ethyl}phenolato)copper(II)
• Authors of publication: Zhao, Xiao-Fan; Li, Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: m912
• a: 10.808 ± 0.002 Å
• b: 17.152 ± 0.003 Å
• c: 8.107 ± 0.002 Å
• α: 90°
• β: 90.059 ± 0.001°
• γ: 90°
• Cell volume: 1502.9 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0923
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1633
• Weighted residual factors for all reflections included in the refinement: 0.1714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes