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Information card for entry 4303744
Preview
| Coordinates | 4303744.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C2 H3 F4 N S W |
|---|---|
| Calculated formula | C2 H3 F4 N S W |
| Title of publication | Syntheses, Characterization, and Computational Study of WSF4 and WSF4.CH3CN |
| Authors of publication | Jared Nieboer; William Hillary; Xin Yu; Hélène P. A. Mercier; Michael Gerken |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2009 |
| Journal volume | 48 |
| Pages of publication | 11251 - 11258 |
| a | 10.995 ± 0.003 Å |
| b | 7.874 ± 0.002 Å |
| c | 8.046 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 696.6 ± 0.3 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0127 |
| Residual factor for significantly intense reflections | 0.0123 |
| Weighted residual factors for significantly intense reflections | 0.0301 |
| Weighted residual factors for all reflections included in the refinement | 0.0303 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.147 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198633 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 700 files were changed. |
4303744.cif |
| 179075 | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/37. |
4303744.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4303744.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4303744.cif |
| 1125 | 2010-04-25 | cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition. |
4303744.cif |
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Users of the data should acknowledge the original authors of the
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