Information card for entry 7034099

Structure parameters

• Formula: C19 H15 Cu F N4 O S
• Calculated formula: C19 H15 Cu F N4 O S
• SMILES: [Cu]12([N](N=C(S1)Nc1ccc(F)cc1)=Cc1ccccc1O2)[n]1ccccc1
• Title of publication: Synthesis, X-ray structure and in vitro cytotoxicity studies of Cu(I/II) complexes of thiosemicarbazone: Special emphasis on their interactions with DNA
• Authors of publication: Bhakat, Saswati; Chakraborty, Ayon; Dash, Subhashree Priyadarsini; Panda, Alok K.; Acharyya, Rama; Biswas, Ashis; Mukhopadhyay, Subhadip; Bhutia, Sujit; Crochet, Aurelien; Patil, Yogesh prakash; Nethaji, Munirathinam; Dinda, Rupam
• Journal of publication: Dalton Trans.
• Year of publication: 2015
• a: 13.3041 ± 0.0005 Å
• b: 5.8394 ± 0.0002 Å
• c: 23.1869 ± 0.0009 Å
• α: 90°
• β: 102.115 ± 0.002°
• γ: 90°
• Cell volume: 1761.22 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0581
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No