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Information card for entry 7111653
Preview
| Coordinates | 7111653.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C10 H10 N2 P2 S7 |
|---|---|
| Calculated formula | C10 H10 N2 P2 S7 |
| SMILES | P(SSSP(=S)([S-])[n+]1ccccc1)(=S)([S-])[n+]1ccccc1 |
| Title of publication | py2P2S7: a bis(pyridine)adduct stabilized phosphorus sulfide |
| Authors of publication | Rotter, Christiane; Evangelisti, Camilla; Schönberger, Stefanie; Klapötke, Thomas M.; Karaghiosoff, Konstantin |
| Journal of publication | Chemical Communications |
| Year of publication | 2010 |
| Journal volume | 46 |
| Journal issue | 27 |
| Pages of publication | 5024 - 5025 |
| a | 13 ± 0.003 Å |
| b | 8.0185 ± 0.0016 Å |
| c | 17.332 ± 0.004 Å |
| α | 90° |
| β | 97.68 ± 0.03° |
| γ | 90° |
| Cell volume | 1790.5 ± 0.7 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0755 |
| Residual factor for significantly intense reflections | 0.0421 |
| Weighted residual factors for significantly intense reflections | 0.0888 |
| Weighted residual factors for all reflections included in the refinement | 0.098 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7111653.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7111653.cif |
| 96717 | 2014-01-29 | cif/ Adding structures of 7111653 via cif-deposit CGI script. |
7111653.cif |
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.