Information card for entry 7217319

Structure parameters

• Formula: C34 H46 Cu F2 N6 O17
• Calculated formula: C34 H46 Cu F2 N6 O17
• Title of publication: A rare dihydroxo copper(II) complex with ciprofloxacin; a combined experimental and ONIOM computational study of the interaction of the complex with DNA and BSA
• Authors of publication: Farrokhpour, Hossein; Hadadzadeh, Hassan; Darabi, Farivash; Abyar, Fatemeh; Amiri Rudbari, Hadi; Ahmadi-Bagheri, Tahareh
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 9.3756 ± 0.0004 Å
• b: 9.5789 ± 0.0005 Å
• c: 11.1998 ± 0.0005 Å
• α: 87.464 ± 0.002°
• β: 80.669 ± 0.002°
• γ: 86.225 ± 0.002°
• Cell volume: 989.79 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0387
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No