Information card for entry 4350289

Structure parameters

• Formula: C24 H20 Cl Cu N5 O5 S
• Calculated formula: C24 H20 Cl Cu N5 O5 S
• SMILES: [Cu]123([S](CC[N]2=Cc2c(O1)cccc2)C)[n]1cccc2c4nccnc4c4ccc[n]3c4c12.Cl(=O)(=O)(=O)[O-]
• Title of publication: DNA cleavage on photoexposure at the d-d band in ternary copper(II) complexes using red-light laser.
• Authors of publication: Dhar, Shanta; Nethaji, Munirathinam; Chakravarty, Akhil R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 11043 - 11050
• a: 12.209 ± 0.007 Å
• b: 13.737 ± 0.008 Å
• c: 14.884 ± 0.009 Å
• α: 79.304 ± 0.011°
• β: 83.491 ± 0.011°
• γ: 89.745 ± 0.012°
• Cell volume: 2437 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1419
• Residual factor for significantly intense reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.1733
• Weighted residual factors for all reflections included in the refinement: 0.1941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No