Information card for entry 2221076

Structure parameters

• Chemical name: Bis[1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline- 3-carboxylato-κ^2^<i>O</i>^3^,<i>O</i>^4^]copper(II)
• Formula: C34 H38 Cu F2 N6 O6
• Calculated formula: C34 H38 Cu F2 N6 O6
• SMILES: C1(=O)c2c(c3cc(F)c(cc3n(c2)CC)N2CCN(CC2)C)=[O][Cu]2(O1)OC(=O)c1c(c3cc(c(cc3n(c1)CC)N1CCN(CC1)C)F)=[O]2
• Title of publication: Bis[1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylato-κ^2^<i>O</i>^3^,<i>O</i>^4^]copper(II)
• Authors of publication: Qi, Wei; Gao, Jing; Liang, Di; An, Zhe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: m248
• a: 8.5548 ± 0.0017 Å
• b: 10.253 ± 0.002 Å
• c: 10.467 ± 0.002 Å
• α: 95.22 ± 0.03°
• β: 109.63 ± 0.03°
• γ: 108.01 ± 0.03°
• Cell volume: 802.7 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0382
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes