Information card for entry 1543935

Structure parameters

• Formula: C27 H33 Cl Cu F3 N5 O7
• Calculated formula: C27 H33 Cl Cu F3 N5 O7
• SMILES: [Cu]12(Cl)(OC(=O)C3=CN(c4c(C3=[O]1)cc(F)c(N1CCN(CC1)C)c4F)CCF)[n]1ccccc1c1[n]2cccc1.O.O.O.O
• Title of publication: Synthesis, structure, and calf-thymus DNA binding of ternary fleroxacin–Cu( <scp>ii</scp> ) complexes
• Authors of publication: Xiao, Ying; Xu, Kailin; Wang, Qing; Xiong, Xinnuo; Huang, Yanmei; Li, Hui
• Journal of publication: RSC Advances
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 83
• Pages of publication: 80286 - 80295
• a: 9.4109 ± 0.0007 Å
• b: 11.7658 ± 0.0008 Å
• c: 15.5101 ± 0.0007 Å
• α: 77.188 ± 0.005°
• β: 80.638 ± 0.005°
• γ: 67.2 ± 0.007°
• Cell volume: 1538.14 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No