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Information card for entry 7006802
Preview
| Coordinates | 7006802.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C H29 K6 N3 Na O50.5 Si W11 |
|---|---|
| Calculated formula | C H6 K6 N3 Na O50.46 Si W11 |
| SMILES | [K+].[K+].[K+].[W]123(=O)(=O)O[W]45([O]3[Si]36[O]78[W]9%10(=O)(=O)O[W]%117(=O)(O[W]78(=O)(O9)O[W]89%12(=O)O[W]%13(=O)(O[W]([O]38%13)(=O)(O9)(O5)O[W]35(=O)(O[W]8(O%10)(=O)(=O)O[W](O7)(=O)(O3)(O%12)[O]658)O4)(O2)O%11)O1)(=O)=O.[Na+].C(=[NH2+])(N)N.O.O.O.O.O.O.O.[K+].[K+].[K+].O.O.O.O.O |
| Title of publication | Cation-controlled assembly of Na±linked lacunary alpha-Keggin tungstosilicates. |
| Authors of publication | Chiba, Hirokazu; Wada, Akihide; Ozeki, Tomoji |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2006 |
| Journal issue | 9 |
| Pages of publication | 1213 - 1217 |
| a | 19.457 ± 0.001 Å |
| b | 22.581 ± 0.001 Å |
| c | 11.069 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4863.3 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 40 |
| Hermann-Mauguin space group symbol | A m a 2 |
| Hall space group symbol | A 2 -2a |
| Residual factor for all reflections | 0.0274 |
| Residual factor for significantly intense reflections | 0.0255 |
| Weighted residual factors for significantly intense reflections | 0.0622 |
| Weighted residual factors for all reflections included in the refinement | 0.0633 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.3282 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7006802.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006802.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006802.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7006802.cif |
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Users of the data should acknowledge the original authors of the
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