Information card for entry 1529412

Structure parameters

• Formula: C17 H18 Cl4 Cu F N3 O4
• Calculated formula: C17 H22 Cl4 Cu F N3 O4
• SMILES: [Cu](Cl)(Cl)([Cl-])[Cl-].Fc1cc2c([n+](cc(c2O)C(=O)O)C2CC2)cc1N1CC[NH2+]CC1.O
• Title of publication: Preparation and crystal structure of hydrated crystalline complex of ciprofloxacin and copper tetrachloride
• Authors of publication: A.D. Vasilev; N.N. Golovnev; M.S. Molokeev; T.D. Churilov
• Journal of publication: Journal of Structural Chemistry
• Year of publication: 2005
• Journal volume: 46
• Journal issue: 2
• Pages of publication: 363 - 370
• a: 13.491 ± 0.001 Å
• b: 11.0459 ± 0.0007 Å
• c: 16.299 ± 0.001 Å
• α: 90°
• β: 111.392 ± 0.007°
• γ: 90°
• Cell volume: 2261.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0469
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 1.54056 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes