Information card for entry 7222136

Structure parameters

• Formula: C47 H46 Cl2 Cu F I N6 O3 P
• Calculated formula: C47 H46 Cl2 Cu F I N6 O3 P
• SMILES: [Cu]1(I)([P](CN2CCN(CC2)c2c(F)cc3c(c2)n(cc(c3=O)C(=O)O)C2CC2)(c2ccccc2)c2ccccc2)[n]2c(ccc3ccc4ccc([n]1c4c23)C)C.C(Cl)Cl.CC#N
• Title of publication: Coordination versatility of phosphine derivatives of fluoroquinolones. New Cu(I) and Cu(II) complexes and their interactions with DNA.
• Authors of publication: Bykowska, Aleksandra; Starosta, Radosław; Jezierska, Julia; Jezowska-Bojczuk, Malgorzata
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 11.722 ± 0.001 Å
• b: 13.245 ± 0.002 Å
• c: 15.234 ± 0.002 Å
• α: 101.43 ± 0.02°
• β: 99.33 ± 0.01°
• γ: 94.55 ± 0.01°
• Cell volume: 2272.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1515
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 0.867
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No