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Information card for entry 2239751
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| Coordinates | 2239751.cif |
|---|---|
| Structure factors | 2239751.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(2-amino-4-phenyl-1,3-thiazol-3-ium) tetrachloridopalladate(II) |
|---|---|
| Formula | C18 H18 Cl4 N4 Pd S2 |
| Calculated formula | C18 H18 Cl4 N4 Pd S2 |
| SMILES | c1(ccccc1)c1[nH+]c(N)sc1.[Pd](Cl)(Cl)([Cl-])[Cl-].c1([nH+]c(cs1)c1ccccc1)N |
| Title of publication | Bis(2-amino-4-phenyl-1,3-thiazol-3-ium) tetrachloridopalladate(II) |
| Authors of publication | Reyes-Martínez, Reyna; Carballo, Rubén M.; Mena-Rejón, Gonzalo J.; Hernández-Ortega, Simón; Cáceres-Castillo, David |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 8 |
| Pages of publication | m295 |
| a | 7.288 ± 0.0002 Å |
| b | 8.9214 ± 0.0003 Å |
| c | 9.8192 ± 0.0003 Å |
| α | 66.258 ± 0.001° |
| β | 73.778 ± 0.001° |
| γ | 84.468 ± 0.001° |
| Cell volume | 561.04 ± 0.03 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0204 |
| Residual factor for significantly intense reflections | 0.0195 |
| Weighted residual factors for significantly intense reflections | 0.0501 |
| Weighted residual factors for all reflections included in the refinement | 0.0508 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181897 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/97. |
2239751.cif 2239751.hkl |
| 181316 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/97. |
2239751.cif 2239751.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239751.cif 2239751.hkl |
| 120002 | 2014-07-11 | cif/ hkl/ Adding structures of 2239751 via cif-deposit CGI script. |
2239751.cif 2239751.hkl |
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