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Information card for entry 4338447
Preview
| Coordinates | 4338447.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | H29 K4 Mn3 O50 Si W9 |
|---|---|
| Calculated formula | K4 Mn3 O52 Si W9 |
| SMILES | [W]1234(=O)[O]56[W]78(=O)(O1)O[W]15(=O)(O2)O[W]259(O[Mn]%10%11%12(O[W]%13([O]2%10[Si]26[O]6%10[W]%14%15(O[Mn]%10(O[W]6(=O)(O7)(O%14)O%13)([OH2])(O%11)O[Mn]67(O[W]%10([O]26[W](O7)(=O)(O4)(O%15)O%10)(=O)(O1)O9)([OH2])O%12)(=O)O3)(=O)(O8)O5)[OH2])=O.[K+].[K+].[K+].[K+].O.O.O.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 | 12.487 ± 0.0004 Å |
| b | 15.9408 ± 0.0006 Å |
| c | 22.4854 ± 0.0008 Å |
| α | 90° |
| β | 95.161 ± 0.002° |
| γ | 90° |
| Cell volume | 4457.6 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0599 |
| Residual factor for significantly intense reflections | 0.0401 |
| Weighted residual factors for significantly intense reflections | 0.0996 |
| Weighted residual factors for all reflections included in the refinement | 0.1122 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179487 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/84. |
4338447.cif |
| 115719 | 2014-06-05 | cif/ Updating files of 4338445, 4338446, 4338447, 4338448, 4338449 Original log message: Adding full bibliography for 4338445--4338449.cif. |
4338447.cif |
| 113978 | 2014-05-20 | cif/ Adding structures of 4338447 via cif-deposit CGI script. |
4338447.cif |
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Users of the data should acknowledge the original authors of the
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