Information card for entry 7200855

Structure parameters

• Formula: C17 H27.5 F N3 Na0.5 O8
• Calculated formula: C17 H17.5 F N3 Na0.5 O8
• Title of publication: Crystal structures with a challenge: high-pressure crystallisation of ciprofloxacin sodium salts and their recovery to ambient pressure
• Authors of publication: Fabbiani, Francesca P. A.; Dittrich, Birger; Florence, Alastair J.; Gelbrich, Thomas; Hursthouse, Michael B.; Kuhs, Werner F.; Shankland, Norman; Sowa, Heidrun
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 1396
• a: 9.391 ± 0.008 Å
• b: 9.57 ± 0.008 Å
• c: 11.095 ± 0.009 Å
• α: 85.247 ± 0.014°
• β: 99.498 ± 0.013°
• γ: 93.272 ± 0.014°
• Cell volume: 979.1 ± 1.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1286
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for all reflections: 0.23
• Weighted residual factors for significantly intense reflections: 0.1971
• Weighted residual factors for all reflections included in the refinement: 0.23
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No