Information card for entry 2239522

Structure parameters

• Chemical name: [Bis(quinolin-2-ylcarbonyl)amido-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']bromido(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)copper(II)
• Formula: C23 H19 Br Cu N4 O3
• Calculated formula: C23 H19 Br Cu N4 O3
• SMILES: c12ccccc1ccc1C(=O)N3C(=O)c4ccc5ccccc5[n]4[Cu]3([n]21)([O]=CN(C)C)Br
• Title of publication: [Bis(quinolin-2-ylcarbonyl)amido-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']bromido(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)copper(II)
• Authors of publication: Faizi, Md. Serajul Haque; Sen, Pratik
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: m206 - m207
• a: 9.2137 ± 0.0006 Å
• b: 23.522 ± 0.0016 Å
• c: 10.4842 ± 0.0007 Å
• α: 90°
• β: 110.284 ± 0.001°
• γ: 90°
• Cell volume: 2131.3 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes