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Information card for entry 4338446
Preview
| Coordinates | 4338446.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H53.5 K3 Mn4 Na4.5 O66 Si W9 |
|---|---|
| Calculated formula | C6 H9 K2.5 Mn4 Na3.5 O55.5 Si W9 |
| SMILES | [Si]123[O]45[W]678(=O)=[O][Mn]9%10%115[O]=[W]54(=O)(O[W]4%12%13(=[O][Mn]%14%15%16%17[O]=[W]%18(=O)([O]34%14)(O%13)O[W]34%13(=O)[O]%141[W](=O)(O%12)(O3)(O[W]%14(=O)(O4)(O[W]13([O]42[W](=O)(=[O][Mn]2%124([O]=1)[O]=C(O[Mn]([O]92)([O]=C(O%10)C)([O]%16%12)(OC(=[O]%15)C)[O]%11%17)C)(O%13)(O%18)O3)(=O)O6)O8)O5)=O)O7.[K+].[K+].[K+].[Na+].[Na+].[Na+].[Na+].O.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 | 12.1739 ± 0.0011 Å |
| b | 13.1095 ± 0.0011 Å |
| c | 18.4657 ± 0.0017 Å |
| α | 81.702 ± 0.005° |
| β | 87.042 ± 0.005° |
| γ | 78.853 ± 0.005° |
| Cell volume | 2860.3 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0826 |
| Residual factor for significantly intense reflections | 0.0694 |
| Weighted residual factors for significantly intense reflections | 0.1569 |
| Weighted residual factors for all reflections included in the refinement | 0.1632 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| 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. |
4338446.cif |
| 115719 | 2014-06-05 | cif/ Updating files of 4338445, 4338446, 4338447, 4338448, 4338449 Original log message: Adding full bibliography for 4338445--4338449.cif. |
4338446.cif |
| 113977 | 2014-05-20 | cif/ Adding structures of 4338446 via cif-deposit CGI script. |
4338446.cif |
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Users of the data should acknowledge the original authors of the
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