Information card for entry 7008715

Structure parameters

• Formula: C18 H23 Cl2 Cu N4 O10.5
• Calculated formula: C18 H19.5 Cl2 Cu N4 O10.5
• SMILES: [Cu]12([n]3cccc4ccc5ccc[n]1c5c34)[NH2][C@H](C(=O)O2)CCCC[NH3+].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.O
• Title of publication: Red-light photosensitized cleavage of DNA by (l-lysine)(phenanthroline base)copper(II) complexes.
• Authors of publication: Patra, Ashis K.; Nethaji, Munirathinam; Chakravarty, Akhil R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 16
• Pages of publication: 2798 - 2804
• a: 10.735 ± 0.005 Å
• b: 13.574 ± 0.006 Å
• c: 33.028 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4813 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1207
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1622
• Weighted residual factors for all reflections included in the refinement: 0.1879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No