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Information card for entry 4319949
Preview
| Coordinates | 4319949.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Chemical name | cyclooctaselenium |
|---|---|
| Formula | Se8 |
| Calculated formula | Se8 |
| SMILES | [Se]1[Se][Se][Se][Se][Se][Se][Se]1 |
| Title of publication | Preparation, Crystal Structure, and Spectroscopic Characterization of [(Se2SN2)Cl]2 |
| Authors of publication | Arto Maaninen; Jari Konu; Risto S. Laitinen; Tristram Chivers; Gabriele Schatte; Jarkko Pietikäinen; Markku Ahlgrén |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 3539 - 3543 |
| a | 8.894 ± 0.002 Å |
| b | 9 ± 0.002 Å |
| c | 11.383 ± 0.002 Å |
| α | 90° |
| β | 90.68 ± 0.02° |
| γ | 90° |
| Cell volume | 911.1 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 1 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1256 |
| Residual factor for significantly intense reflections | 0.0593 |
| Weighted residual factors for significantly intense reflections | 0.1247 |
| Weighted residual factors for all reflections included in the refinement | 0.1676 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.298 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301837 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
4319949.cif |
| 201982 | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4319949.cif |
| 179279 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/99. |
4319949.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4319949.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4319949.cif |
| 16754 | 2011-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4319949 via cif-deposit CGI script. |
4319949.cif |
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Users of the data should acknowledge the original authors of the
structural data.