Information card for entry 2216506

Structure parameters

• Chemical name: Poly[[bis[μ-1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline- 3-carboxylato]nickel(II)] dihydrate]
• Formula: C32 H38 F2 N6 Ni O8
• Calculated formula: C32 H34 F2 N6 Ni O8
• Title of publication: Poly[[bis[μ-1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylato]nickel(II)] dihydrate]
• Authors of publication: Wen Xu; Zhe An
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3157 - m3157
• a: 5.8389 ± 0.0002 Å
• b: 21.5704 ± 0.0008 Å
• c: 13.2408 ± 0.0004 Å
• α: 90°
• β: 100.763 ± 0.001°
• γ: 90°
• Cell volume: 1638.31 ± 0.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes