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Information card for entry 8102929
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| Coordinates | 8102929.cif |
|---|---|
| External links | PubChem |
| Chemical name | tripotassium monosodium ditungstate |
|---|---|
| Formula | K3 Na O8 W2 |
| Calculated formula | K3 Na O8 W2 |
| SMILES | [K+].[K+].[K+].[O-][W](=O)(=O)[O-].[Na+].[O-][W](=O)(=O)[O-] |
| Title of publication | Crystal structure of tripotassium monosodium ditungstate, K~3~Na[WO~4~]~2~ |
| Authors of publication | Arumugam, N.; Sofin, M.; Jansen, M. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2005 |
| Journal volume | 220 |
| Journal issue | 4 |
| Pages of publication | 531 - 532 |
| a | 10.4928 ± 0.0001 Å |
| b | 6.0693 ± 0.0001 Å |
| c | 15.2921 ± 0.0001 Å |
| α | 90° |
| β | 90.087 ± 0.002° |
| γ | 90° |
| Cell volume | 973.86 ± 0.02 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0627 |
| Residual factor for significantly intense reflections | 0.0601 |
| Weighted residual factors for significantly intense reflections | 0.0576 |
| Weighted residual factors for all reflections included in the refinement | 0.0576 |
| Goodness-of-fit parameter for significantly intense reflections | 10.27 |
| Goodness-of-fit parameter for all reflections included in the refinement | 9.68 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8102929.cif |
| 176466 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102929.cif |
| 107934 | 2014-03-24 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102929.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102929.cif |
| 13668 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102929 via cif-deposit CGI script. |
8102929.cif |
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Users of the data should acknowledge the original authors of the
structural data.