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Information card for entry 2240864
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| Coordinates | 2240864.cif |
|---|---|
| Structure factors | 2240864.hkl |
| Original paper (by DOI) | HTML |
| Common name | 03251a |
|---|---|
| Chemical name | Bis(<i>N</i>-methyl-<i>N</i>-phenylamino)trisulfane |
| Formula | C14 H16 N2 S3 |
| Calculated formula | C14 H16 N2 S3 |
| SMILES | S(SSN(C)c1ccccc1)N(C)c1ccccc1 |
| Title of publication | Crystal structure of bis(<i>N</i>-methyl-<i>N</i>-phenylamino)trisulfane |
| Authors of publication | Barany, George; Henley, Matthew J.; Polski, Lauren A.; Schroll, Alayne L.; Young, Jr, Victor G. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 7 |
| Pages of publication | 836 - 839 |
| a | 19.284 ± 0.003 Å |
| b | 56.44 ± 0.008 Å |
| c | 11.1695 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 12157 ± 3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.1192 |
| Residual factor for significantly intense reflections | 0.056 |
| Weighted residual factors for significantly intense reflections | 0.1062 |
| Weighted residual factors for all reflections included in the refinement | 0.1294 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181908 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/08 |
2240864.cif 2240864.hkl |
| 139608 | 2015-06-25 | cif/ hkl/ Adding structures of 2240864 via cif-deposit CGI script. |
2240864.cif 2240864.hkl |
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Users of the data should acknowledge the original authors of the
structural data.