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Information card for entry 1557216
Preview
| Coordinates | 1557216.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1,2-Bis[bis(2-methylthiophenyl)phosphino]ethane |
|---|---|
| Formula | C30 H32 P2 S4 |
| Calculated formula | C30 P2 S4 |
| SMILES | P(CCP(c1c(SC)cccc1)c1c(SC)cccc1)(c1c(SC)cccc1)c1c(SC)cccc1 |
| Title of publication | X-Ray Crystal Structure of 1,2-Bis[bis(2-methylthiophenyl)phosphino]ethane |
| Authors of publication | Laitinen, Riitta H.; Losonczi, Judit; Pursiainen, Jouni; Ahlgren, Markku |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1997 |
| Journal volume | 51 |
| Pages of publication | 804 - 806 |
| a | 13.586 ± 0.003 Å |
| b | 7.729 ± 0.002 Å |
| c | 15.57 ± 0.005 Å |
| α | 90° |
| β | 112.95 ± 0.02° |
| γ | 90° |
| Cell volume | 1505.5 ± 0.7 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.056 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.31 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247549 (current) | 2020-02-04 | cif/ Adding structures of 1557216 via cif-deposit CGI script. |
1557216.cif |
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