Information card for entry 7057889

Structure parameters

• Common name: chlorido-(pefloxacinato-O,O')-(1,10-phenanthroline-N,N')-copper(II)‒ methanol-water(1/1/2)
• Chemical name: chlorido-(1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3- carboxylato-O,O')-(1,10-phenanthroline-N,N')-copper(II)‒methanol-water(1/1/2)
• Formula: C30 H35 Cl Cu F N5 O6
• Calculated formula: C30 H35 Cl Cu F N5 O6
• Title of publication: Extending the family of quinolone antibacterials to new copper derivatives: self-assembly, structural and topological features, catalytic and biological activity
• Authors of publication: Xerras, Panagiotis; Bacharidou, Anna-Maria; Kalogiannis, Stavros; Perdih, Franc; Kirillova, Marina V.; Kirillov, Alexander M.; Turel, Iztok; Psomas, George
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 24
• Pages of publication: 19644
• a: 10.8217 ± 0.0002 Å
• b: 24.4873 ± 0.0007 Å
• c: 11.4809 ± 0.0002 Å
• α: 90°
• β: 98.87 ± 0.002°
• γ: 90°
• Cell volume: 3005.99 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0619
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No