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Information card for entry 1529412
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| Coordinates | 1529412.cif |
|---|---|
| Structure factors | 1529412.hkl |
| Original paper (by DOI) | HTML |
| Formula | C17 H18 Cl4 Cu F N3 O4 |
|---|---|
| Calculated formula | C17 H22 Cl4 Cu F N3 O4 |
| SMILES | [Cu](Cl)(Cl)([Cl-])[Cl-].Fc1cc2c([n+](cc(c2O)C(=O)O)C2CC2)cc1N1CC[NH2+]CC1.O |
| Title of publication | Preparation and crystal structure of hydrated crystalline complex of ciprofloxacin and copper tetrachloride |
| Authors of publication | A.D. Vasilev; N.N. Golovnev; M.S. Molokeev; T.D. Churilov |
| Journal of publication | Journal of Structural Chemistry |
| Year of publication | 2005 |
| Journal volume | 46 |
| Journal issue | 2 |
| Pages of publication | 363 - 370 |
| a | 13.491 ± 0.001 Å |
| b | 11.0459 ± 0.0007 Å |
| c | 16.299 ± 0.001 Å |
| α | 90° |
| β | 111.392 ± 0.007° |
| γ | 90° |
| Cell volume | 2261.5 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0469 |
| Residual factor for significantly intense reflections | 0.0349 |
| Weighted residual factors for significantly intense reflections | 0.0918 |
| Weighted residual factors for all reflections included in the refinement | 0.0973 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 1.54056 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288183 (current) | 2023-12-08 | cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9827. This change affected only the misspelt variants of the '_atom_site_symmetry_multiplicity' data name. |
1529412.cif 1529412.hkl |
| 181862 | 2016-04-06 | hkl/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in range 1. |
1529412.cif 1529412.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1529412.cif 1529412.hkl |
| 153502 | 2015-08-19 | cif/ hkl/ Adding structures of 1529412 via cif-deposit CGI script. |
1529412.cif 1529412.hkl |
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Users of the data should acknowledge the original authors of the
structural data.