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Information card for entry 2241577
Preview
| Coordinates | 2241577.cif |
|---|---|
| Structure factors | 2241577.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetraethylammonium tribromido(2-methyl-1,3-benzothiazole-κ<i>N</i>)platinate(II) |
|---|---|
| Formula | C16 H27 Br3 N2 Pt S |
| Calculated formula | C16 H27 Br3 N2 Pt S |
| SMILES | [N+](CC)(CC)(CC)CC.[Pt](Br)(Br)(Br)[n]1c(sc2c1cccc2)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 | 12.114 ± 0.003 Å |
| b | 10.656 ± 0.003 Å |
| c | 34.043 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4395 ± 2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0412 |
| Residual factor for significantly intense reflections | 0.0314 |
| Weighted residual factors for significantly intense reflections | 0.0758 |
| Weighted residual factors for all reflections included in the refinement | 0.081 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| 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. |
2241577.cif 2241577.hkl |
| 176875 | 2016-02-25 | cif/ hkl/ Adding structures of 2241577, 2241578, 2241579, 2241580 via cif-deposit CGI script. |
2241577.cif 2241577.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.