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Information card for entry 4304948
Preview
| Coordinates | 4304948.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H25 Cl2 F3 O Se Si0.5 |
|---|---|
| Calculated formula | C19 H25 Cl2 F3 O Se Si0.5 |
| Title of publication | Studies on the Properties of Organoselenium(IV) Fluorides and Azides |
| Authors of publication | Thomas M. Klapötke; Burkhard Krumm; Matthias Scherr |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2008 |
| Journal volume | 47 |
| Pages of publication | 4712 - 4722 |
| a | 11.34521 ± 0.00016 Å |
| b | 14.0128 ± 0.0002 Å |
| c | 13.6551 ± 0.0002 Å |
| α | 90° |
| β | 98.4973 ± 0.0014° |
| γ | 90° |
| Cell volume | 2147.03 ± 0.05 Å3 |
| Cell temperature | 100 ± 3 K |
| Ambient diffraction temperature | 200 ± 3 K |
| Number of distinct elements | 7 |
| 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 | 0.0543 |
| Residual factor for significantly intense reflections | 0.0403 |
| Weighted residual factors for significantly intense reflections | 0.1088 |
| Weighted residual factors for all reflections included in the refinement | 0.1215 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4304948.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4304948.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4304948.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4304948.cif |
| 1163 | 2010-05-11 | cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition. | 4304948.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.