Information card for entry 4317147

Structure parameters

• Common name: (p-cymene)-chlorido-(ofloxacinato)-ruthenium 2.8 hydrate
• Chemical name: (p-cymene)-chlorido-((RS)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo -4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylato) -ruthenium 2.8 hydrate
• Formula: C28 H38.6 Cl F N3 O6.8 Ru
• Calculated formula: C28 H35 Cl F N3 O6.8 Ru
• Title of publication: First Ruthenium Organometallic Complex of Antibacterial Agent Ofloxacin. Crystal Structure and Interactions with DNA
• Authors of publication: Iztok Turel; Jakob Kljun; Franc Perdih; Elena Morozova; Vladimir Bakulev; Nina Kasyanenko; Jo Ann W. Byl; Neil Osheroff
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 10750 - 10752
• a: 24.6662 ± 0.0003 Å
• b: 20.8233 ± 0.0003 Å
• c: 11.9268 ± 0.0002 Å
• α: 90°
• β: 95.1326 ± 0.0007°
• γ: 90°
• Cell volume: 6101.42 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0963
• 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: Yes
• Has Fobs: No