Information card for entry 7034098

Structure parameters

• Chemical name: SB-27
• Formula: C56 H47 Br Cl Cu N4 P2 S
• Calculated formula: C56 H47 Br Cl Cu N4 P2 S
• SMILES: c1(ccc(cc1)Cl)NC(N/N=C/c1cccc2ccccc12)=[S][Cu](Br)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(#N)C
• 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: 9.4984 ± 0.0004 Å
• b: 13.1221 ± 0.0005 Å
• c: 20.6583 ± 0.0009 Å
• α: 100.185 ± 0.003°
• β: 95.359 ± 0.003°
• γ: 96.502 ± 0.003°
• Cell volume: 2500.96 ± 0.18 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No