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Information card for entry 7113432
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| Coordinates | 7113432.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 Å3 |
| 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 |
| Duplicate of | 7103730 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210649 (current) | 2018-09-09 | cif/7/ Updating bibliography in entries 7103730, 7113432. Marking entry 7113432 as a duplicate of entry 7103730. |
7113432.cif |
| 180248 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/34. |
7113432.cif |
| 115057 | 2014-06-02 | cif/ Adding structures of 7113432 via cif-deposit CGI script. |
7113432.cif |
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