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Information card for entry 4508317
Preview
| Coordinates | 4508317.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H7 Br2 N S |
|---|---|
| Calculated formula | C5 H7 Br2 N S |
| Title of publication | Utilization of σ-Holes on Sulfur and Halogen Atoms for Supramolecular Cation···Anion Interactions in Bilayer Ni(dmit)2Anion Radical Salts |
| Authors of publication | Kusamoto, Tetsuro; Yamamoto, Hiroshi M.; Kato, Reizo |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2013 |
| Journal volume | 13 |
| Journal issue | 10 |
| Pages of publication | 4533 |
| a | 6.932 ± 0.005 Å |
| b | 10.526 ± 0.007 Å |
| c | 11.729 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 855.8 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P m c n |
| Hall space group symbol | -P 2n 2a |
| Residual factor for significantly intense reflections | 0.0315 |
| Weighted residual factors for all reflections included in the refinement | 0.0535 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.815 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4508317.cif |
| 89001 | 2013-10-09 | cif/ Adding structures of 4508317, 4508318, 4508319 via cif-deposit CGI script. |
4508317.cif |
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Users of the data should acknowledge the original authors of the
structural data.