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Information card for entry 7005980
Preview
| Coordinates | 7005980.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | octasodium hexatantalate |
|---|---|
| Formula | H30 Na8 O34 Ta6 |
| Calculated formula | H16 Na8 O34 Ta6 |
| SMILES | [O]12345[Ta]67(=O)(O[Ta]895(=O)O[Ta]5%101O6)O[Ta]13(O[Ta]4(=O)(O[Ta]2(=O)(O9)(O7)O1)(O5)O8)(=O)O%10.O.[Na+].O.O.[Na+].O.O.[Na+].O.O.[Na+].[Na+].O.O.[Na+].O.[Na+].O.O.[Na+].O.O.O.O |
| Title of publication | An aqueous route to [Ta6O19]8- and solid-state studies of isostructural niobium and tantalum oxide complexes. |
| Authors of publication | Anderson, Travis M.; Rodriguez, Mark A.; Bonhomme, François; Bixler, Joel N.; Alam, Todd M.; Nyman, May |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 40 |
| Pages of publication | 4517 - 4522 |
| a | 10.0215 ± 0.0016 Å |
| b | 12.007 ± 0.002 Å |
| c | 12.761 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1535.5 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 58 |
| Hermann-Mauguin space group symbol | P m n n |
| Hall space group symbol | -P 2n 2 |
| Residual factor for all reflections | 0.0198 |
| Residual factor for significantly intense reflections | 0.0189 |
| Weighted residual factors for significantly intense reflections | 0.0499 |
| Weighted residual factors for all reflections included in the refinement | 0.0503 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.142 |
| 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 |
7005980.cif |
| 179763 | 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 7/00/59. |
7005980.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7005980.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7005980.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7005980.cif |
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