Information card for entry 2204879

Structure parameters

• Chemical name: (2,2'-bipyridine)[1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(piperazin-4-ium- 1-yl)quinoline-3-carboxylato]nitratocopper(II) nitrate dihydrate
• Formula: C26 H30 Cu F N7 O11
• Calculated formula: C26 H30 Cu F N7 O11
• SMILES: [Cu]12(OC(=O)c3c(O1)c1c([n+](c3)CC)cc(N3CC[NH2+]CC3)c(F)c1)(ON(=O)=O)[n]1ccccc1c1[n]2cccc1.O=N(=O)[O-].O.O
• Title of publication: The mixed-ligand copper(II) complex (2,2'-bipyridine)[1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(piperazin-4-ium-1-yl)quinoline-3-carboxylato]nitratocopper(II) nitrate dihydrate
• Authors of publication: Yong-Qin Wei; Zhang-Feng Zhou; Bo-Tao Zhuang; Ke-Chen Wu; Cai-Ping Liu; Ming-Xi Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: m66 - m68
• a: 13.908 ± 0.0008 Å
• b: 13.8441 ± 0.0008 Å
• c: 14.4835 ± 0.0009 Å
• α: 90°
• β: 93.173 ± 0.003°
• γ: 90°
• Cell volume: 2784.4 ± 0.3 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 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: 0.038
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes