Information card for entry 7057888

Structure parameters

• Common name: chlorido-(pefloxacinato-O,O')-(di(2-pyridyl)amine-N,N')-copper(II)-dihydrate
• Chemical name: chlorido-(1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylato-O,O')-(di(2-pyridyl)amine-N,N')-copper(II)-dihydrate
• Formula: C27 H32 Cl Cu F N6 O5
• Calculated formula: C27 H32 Cl Cu F N6 O5
• 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: 8.0898 ± 0.0003 Å
• b: 11.8193 ± 0.0004 Å
• c: 15.4407 ± 0.0005 Å
• α: 99.797 ± 0.003°
• β: 91.722 ± 0.002°
• γ: 92.749 ± 0.003°
• Cell volume: 1452.07 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No