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Information card for entry 4338449
Preview
| Coordinates | 4338449.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | H39 K4.5 Mn3 Na2.5 O55 Si W9 |
|---|---|
| Calculated formula | K3.75 Mn3 Na0.375 O46.5 Si W9 |
| SMILES | [W]1234(O[W]567([O]89[Si]%10%11[O]%12%13[W]%14%15%16(O[W]%17%18%19(=O)O[W]%20(=O)(O3)(=[O][Mn]3([OH2])([OH][Mn]%219([OH2])([OH][Mn]%13([OH2])([OH]3)([O]=[W]3%12(O[W]8(=O)(O[W]8([O]2%10[W](O1)(O%19)(O8)(=O)O%14)(O3)(O4)=O)(O6)O%21)(=O)O%15)[O]=%16)[O]=7)([O]=%17)[O]%11%18%20)O5)=O)=O)=O.[K+].[K+].[K+].[K+].O.O.O.O.O.O.O |
| Title of publication | Synthesis and characterization of multinuclear manganese-containing tungstosilicates. |
| Authors of publication | Al-Oweini, Rami; Bassil, Bassem S.; Friedl, Jochen; Kottisch, Veronika; Ibrahim, Masooma; Asano, Marie; Keita, Bineta; Novitchi, Ghenadie; Lan, Yanhua; Powell, Annie; Stimming, Ulrich; Kortz, Ulrich |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 11 |
| Pages of publication | 5663 - 5673 |
| a | 12.3104 ± 0.0004 Å |
| b | 12.3104 ± 0.0004 Å |
| c | 52.317 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 6866.2 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0743 |
| Residual factor for significantly intense reflections | 0.0501 |
| Weighted residual factors for significantly intense reflections | 0.1337 |
| Weighted residual factors for all reflections included in the refinement | 0.1599 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4338449.cif |
| 115719 | 2014-06-05 | cif/ Updating files of 4338445, 4338446, 4338447, 4338448, 4338449 Original log message: Adding full bibliography for 4338445--4338449.cif. |
4338449.cif |
| 113980 | 2014-05-20 | cif/ Adding structures of 4338449 via cif-deposit CGI script. |
4338449.cif |
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Users of the data should acknowledge the original authors of the
structural data.