Information card for entry 8107145

Structure parameters

• Formula: C31 H27 F N3 O9.5 S Zn
• Calculated formula: C31 H27 F N3 O9.5 S Zn
• Title of publication: Crystal structure of catena-poly-[(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-ium-1-yl)-1,4-dihydroquinoline-3-carboxylate-κ 2 O,O′)-(μ2-4,4′-sulfonyldibenzoato-κ 4 O,O′:O′′,O′′′)zinc(II)] hemihydrate, C31H27ZnFN3O9.5S
• Authors of publication: Fan, Zhuo-Wen; Wang, Liang-Liang; Cui, Kuo; Meng, Ying; Liu, Ji-Zhi
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 4
• Pages of publication: 1203 - 1205
• a: 10.6434 ± 0.0004 Å
• b: 12.6191 ± 0.0004 Å
• c: 12.8532 ± 0.0005 Å
• α: 93.998 ± 0.003°
• β: 109.121 ± 0.003°
• γ: 112.773 ± 0.003°
• Cell volume: 1465.16 ± 0.11 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: 0.0438
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No