Information card for entry 2219353

Structure parameters

• Chemical name: catena-Poly[[[(1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4- dihydroquinoline-3-carboxylato-κ^2^O^3^,O^4^)copper(II)]-μ-1-ethyl-6-fluoro- 4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylato- κ^3^N^7'^:O^3^,O^4^] tetrahydrate]
• Formula: C32 H42 Cu F2 N6 O10
• Calculated formula: C32 H42 Cu F2 N6 O10
• SMILES: [Cu]12(OC(=O)C3C(c4cc(c(cc4N(C=3)CC)N3CCNCC3)F)=[O]1)(OC(=O)C1C(c3cc(c(cc3N(C=1)CC)N1CCNCC1)F)=[O]2)[NH]1CCN(c2c(cc3C4C(C(=O)O[Cu]5(OC(=O)C6C(c7cc(c(cc7N(C=6)CC)N6CCNCC6)F)=[O]5)[O]=4)=CN(c3c2)CC)F)CC1.O.O.O.O.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[(1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylato-κ^2^<i>O</i>^3^,<i>O</i>^4^)copper(II)]-μ-1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylato-κ^3^<i>N</i>^7'^:<i>O</i>^3^,<i>O</i>^4^] tetrahydrate]
• Authors of publication: Wang, Shu-Ye; Song, Xue-Ming; Duan, Li-Xiang; An, Zhe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: m1201 - m1202
• a: 10.023 ± 0.002 Å
• b: 11.708 ± 0.002 Å
• c: 16.219 ± 0.003 Å
• α: 97.22 ± 0.03°
• β: 107.05 ± 0.03°
• γ: 105 ± 0.03°
• Cell volume: 1715.3 ± 0.8 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: 0.0755
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.1906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes