Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2237561
Preview
| Coordinates | 2237561.cif |
|---|---|
| Structure factors | 2237561.hkl |
| Original IUCr paper | HTML |
| Chemical name | (1<i>RS</i>,2<i>RS</i>)-4,4'-(1-Azaniumyl-2-hydroxyethane-1,2-diyl)dipyridinium tetrachloridoplatinate(II) chloride |
|---|---|
| Formula | C12 H16 Cl5 N3 O Pt |
| Calculated formula | C12 H16 Cl5 N3 O Pt |
| SMILES | O[C@H]([C@@H]([NH3+])c1cc[nH+]cc1)c1cc[nH+]cc1.[Pt](Cl)(Cl)([Cl-])[Cl-].[Cl-].O[C@@H]([C@H]([NH3+])c1cc[nH+]cc1)c1cc[nH+]cc1.[Pt](Cl)(Cl)([Cl-])[Cl-].[Cl-] |
| Title of publication | (1<i>RS</i>,2<i>RS</i>)-4,4'-(1-Azaniumyl-2-hydroxyethane-1,2-diyl)dipyridinium tetrachloridoplatinate(II) chloride |
| Authors of publication | Campos-Gaxiola, José J.; Almaral-Sanchez, Jorge L.; Cruz-Enríquez, Adriana; Höpfl, Herbert; Parra-Hake, Miguel |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 3 |
| Pages of publication | m157 - m158 |
| a | 7.636 ± 0.002 Å |
| b | 8.082 ± 0.002 Å |
| c | 14.599 ± 0.004 Å |
| α | 88.689 ± 0.004° |
| β | 84.24 ± 0.004° |
| γ | 70.148 ± 0.004° |
| Cell volume | 843.1 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0396 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.0903 |
| Weighted residual factors for all reflections included in the refinement | 0.0913 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181297 (current) | 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 2/23/75. |
2237561.cif 2237561.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. |
2237561.cif 2237561.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237561.cif 2237561.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237561.cif 2237561.hkl |
| 78862 | 2013-04-02 | cif/ Adding structures of 2237561 via cif-deposit CGI script. |
2237561.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.