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Information card for entry 4338448
Preview
| Coordinates | 4338448.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H51.5 K3 Mn4 Na4.5 O65 Si W9 |
|---|---|
| Calculated formula | C6 H9 K4.15 Mn4 Na1.8 O51.75 Si W9 |
| SMILES | [W]1234([O]56[W]78(O2)(O[W]29%10(O[W]%11%12(O[W]%13%14(=[O][Mn]%15%16%17([O]%18[Mn]%19%20%21([O]=[W]%22(O[W]%23%24%25(O[W]5(O1)(O8)(O[W]1(O%23)([O]%24([Si]6([O]2%19%22)[O]%11%13%15)[Mn]25([O]%20[Mn]%18([O]=C(O%21)C)([O]%165)(OC(=[O]%17)C)OC(=[O]2)C)([O]=%25)[O]=1)(=O)O%14)=O)=O)(O7)(O9)=O)[O]=%10)[O]=%12)(O4)=O)(O3)=O)=O)=O)=O.[K+].[K+].[K+].[K+].[K+].[Na+].[Na+].O.O.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 | 42.0007 ± 0.0014 Å |
| b | 12.3264 ± 0.0004 Å |
| c | 21.4071 ± 0.0009 Å |
| α | 90° |
| β | 95.847 ± 0.002° |
| γ | 90° |
| Cell volume | 11025.2 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.0829 |
| Residual factor for significantly intense reflections | 0.0476 |
| Weighted residual factors for significantly intense reflections | 0.1145 |
| Weighted residual factors for all reflections included in the refinement | 0.138 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| 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. |
4338448.cif |
| 115719 | 2014-06-05 | cif/ Updating files of 4338445, 4338446, 4338447, 4338448, 4338449 Original log message: Adding full bibliography for 4338445--4338449.cif. |
4338448.cif |
| 113979 | 2014-05-20 | cif/ Adding structures of 4338448 via cif-deposit CGI script. |
4338448.cif |
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Users of the data should acknowledge the original authors of the
structural data.