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Information card for entry 7001418
Preview
| Coordinates | 7001418.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Na2 O62 W12 |
|---|---|
| Calculated formula | Na2 O62 W12 |
| SMILES | O1[W]234(=O)[O]5[W]67(O2)(O[W]215(O[W]15([O]8[W]9%10(O[W]%11%12%13([O]9[W](O%10)(O%11)(=O)(O[W]9(O3)(=O)(O[W]3([O]4[W](O7)(=O)(=O)(O3)O%12)(=O)(=O)[O]%139)=O)=O1)=O)(=O)O[W]1(O6)(=O)(O[W]8(O5)(=O)(=O)[O]21)=O)(=O)=O)=O)=O.[Na]([OH2])([OH2])([OH2])[OH2].O.O.O.O.O.O.[Na]([OH2])([OH2])([OH2])[OH2].O.O.O.O.O.O |
| Title of publication | Hydrothermal routes to new sodium hydrogen polytungstates |
| Authors of publication | Redrup, Kate V.; Weller, Mark T. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 23 |
| Pages of publication | 4468 - 4472 |
| a | 11.9865 ± 0.0004 Å |
| b | 14.03 ± 0.0005 Å |
| c | 15.5104 ± 0.0004 Å |
| α | 90° |
| β | 105.588 ± 0.002° |
| γ | 90° |
| Cell volume | 2512.45 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.078 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for significantly intense reflections | 0.0963 |
| Weighted residual factors for all reflections included in the refinement | 0.11 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287753 (current) | 2023-11-23 | Fixing Z values and formulae |
7001418.cif |
| 179712 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/14. |
7001418.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7001418.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7001418.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7001418.cif |
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Users of the data should acknowledge the original authors of the
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