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Information card for entry 2100718
Preview
| Coordinates | 2100718.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | cyclo-octasulfur |
|---|---|
| Chemical name | sulfur |
| Formula | S8 |
| Calculated formula | S8 |
| SMILES | S1SSSSSSS1 |
| Title of publication | Order-disorder transition in monoclinic sulfur: a precise structural study by high-resolution neutron powder diffraction |
| Authors of publication | W. I. F. David; R. M. Ibberson; S. F. J. Cox; P. T. Wood |
| Journal of publication | Acta Crystallographica, Section B |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 6 |
| Pages of publication | 953 - 959 |
| a | 10.8125 ± 0.0001 Å |
| b | 10.7232 ± 0.0001 Å |
| c | 10.6883 ± 0.0001 Å |
| α | 90° |
| β | 95.746 ± 0.001° |
| γ | 90° |
| Cell volume | 1233.02 ± 0.02 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 5 K |
| Number of distinct elements | 1 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Goodness-of-fit parameter for all reflections | 3.19 |
| Diffraction radiation probe | neutron |
| Diffraction radiation type | time-of-flightneutron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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