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Information card for entry 2241580
Preview
| Coordinates | 2241580.cif |
|---|---|
| Structure factors | 2241580.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Tetraethylammonium tribromido(2-methyl-5-nitro-1,3-benzothiazole-κ<i>N</i>)platinate(II) |
|---|---|
| Formula | C16 H26 Br3 N3 O2 Pt S |
| Calculated formula | C16 H26 Br3 N3 O2 Pt S |
| SMILES | [N+](CC)(CC)(CC)CC.[Pt](Br)(Br)(Br)[n]1c(sc2c1cc(N(=O)=O)cc2)C |
| Title of publication | New platinum(II) complexes with benzothiazole ligands |
| Authors of publication | Carmona-Negrón, José A.; Cádiz, Mayra E.; Moore, Curtis E.; Rheingold, Arnold L.; Meléndez, Enrique |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 3 |
| Pages of publication | 412 - 416 |
| a | 8.117 ± 0.0003 Å |
| b | 29.2717 ± 0.0012 Å |
| c | 9.5102 ± 0.0004 Å |
| α | 90° |
| β | 100.72 ± 0.001° |
| γ | 90° |
| Cell volume | 2220.17 ± 0.15 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.032 |
| Residual factor for significantly intense reflections | 0.0288 |
| Weighted residual factors for significantly intense reflections | 0.0592 |
| Weighted residual factors for all reflections included in the refinement | 0.0602 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.176 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181916 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/15. |
2241580.cif 2241580.hkl |
| 176875 | 2016-02-25 | cif/ hkl/ Adding structures of 2241577, 2241578, 2241579, 2241580 via cif-deposit CGI script. |
2241580.cif 2241580.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.