Information card for entry 2216253

Structure parameters

• Chemical name: aqua[1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4- dihydroquinoline-3-carboxylato](1,10-phenanthroline)copper(II) nitrate dihydrate
• Formula: C31 H35 Cu F N6 O9
• Calculated formula: C31 H35 Cu F N6 O9
• SMILES: c1ccc2ccc3ccc[n]4[Cu]5([n]1c2c34)([O]=c1c(C(=O)O5)cn(c2c1cc(F)c(N1CCN(CC1)CC)c2)C1CC1)[OH2].N(=O)(=O)[O-].O.O
• Title of publication: A copper(II) complex of 1,10-phenanthroline and enrofloxacin
• Authors of publication: Recillas-Mota, Jesús; Flores-Alamo, Marcos; Moreno-Esparza, Rafael; Gracia-Mora, Jesús
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3030 - m3031
• a: 10.819 ± 0.004 Å
• b: 12.019 ± 0.005 Å
• c: 12.968 ± 0.006 Å
• α: 76.75 ± 0.03°
• β: 87.91 ± 0.03°
• γ: 80.37 ± 0.02°
• Cell volume: 1618.3 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1403
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes