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Information card for entry 7112142
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| Coordinates | 7112142.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Tugsten sulfidocyanide cluster |
|---|---|
| Chemical name | hexa potassium octakis(mu!3$-sulfido)-hexakis(cyano)-hexa-tungsten-decakis(water)solvate |
| Formula | C6 H20 K6 N6 O10 S8 W6 |
| Calculated formula | C6 K6.046 N6 O9.896 S8 W6 |
| Title of publication | Novel octahedral tungsten sulfidocyanide cluster anion [W6S8(CN)6]6‒ |
| Authors of publication | Jin, Song; DiSalvo, Francis J. |
| Journal of publication | Chemical Communications |
| Year of publication | 2001 |
| Journal issue | 17 |
| Pages of publication | 1586 - 1587 |
| a | 15.3084 ± 0.0015 Å |
| b | 15.3084 ± 0.0016 Å |
| c | 15.3084 ± 0.0016 Å |
| α | 90 ± 0.002° |
| β | 90 ± 0.003° |
| γ | 90 ± 0.003° |
| Cell volume | 3587.5 ± 0.6 Å3 |
| Cell temperature | 165 ± 2 K |
| Ambient diffraction temperature | 165 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 225 |
| Hermann-Mauguin space group symbol | F m -3 m |
| Hall space group symbol | -F 4 2 3 |
| Residual factor for all reflections | 0.0385 |
| Residual factor for significantly intense reflections | 0.0348 |
| Weighted residual factors for significantly intense reflections | 0.0453 |
| Weighted residual factors for all reflections included in the refinement | 0.0457 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180235 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/21. |
7112142.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
7112142.cif |
| 106744 | 2014-03-15 | cod/ (saulius@kolibris) Correcting _chemical_name_systematic in 7112142.cif. |
7112142.cif |
| 106743 | 2014-03-15 | cod/ (saulius@kolibris) Adding last page numbers to entries 7112141 and 7112142. |
7112142.cif |
| 106742 | 2014-03-15 | cod/ (saulius@kolibris) Adding two structures from the supplementary data of the DOI: 10.1039/B104161B paper. Since an existing entry, 2000030.cif, contained structure apparently from the same paper, but with slightly different coordinates, the data were deposited anew and the entry 2000030 marked to be a duplicate of 7112141. |
7112142.cif |
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