Information card for entry 7103730

Structure parameters

• Chemical name: (1,10-phenanthroline)(methanol)(L-methioninato)copper(II)monoperchlorate
• Formula: C18 H22 Cl Cu N3 O7 S
• Calculated formula: C18 H22 Cl Cu N3 O7 S
• SMILES: [Cu]12([n]3cccc4ccc5ccc[n]1c5c34)(OC(=O)[C@@H]([NH2]2)CCSC)[OH]C.Cl(=O)(=O)(=O)[O-]
• Title of publication: Visible light-induced nuclease activity of a ternary mono-phenanthroline copper(II) complex containing L-methionine as a photosensitizer
• Authors of publication: Patra, Ashis K.; Dhar, Shanta; Nethaji, Munirathinam; Chakravarty, Akhil R.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 13
• Pages of publication: 1562 - 1563
• a: 9.246 ± 0.004 Å
• b: 20.531 ± 0.009 Å
• c: 11.864 ± 0.005 Å
• α: 90°
• β: 96.985 ± 0.008°
• γ: 90°
• Cell volume: 2235.4 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No