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Information card for entry 4333618
Preview
| Coordinates | 4333618.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Co2 H86 K5 Na7 O109 Si2 W18 |
|---|---|
| Calculated formula | Co2 K5 Na7 O87.75 Si2 W18 |
| SMILES | [Co]12([O]34[Si]56[O]78[W]9%10%11(=O)O[W]%12%137(=O)O[W]78(=O)(O9)O[W]83(=O)(O[W]3(=O)(O[W](O%10)(=O)(O[W]9%10(O%11)(=O)O[W](O%12)(=O)(O[W]4(O%13)(=O)(O8)=[O]1)([O]59)O[W]145([O]8[Si]9%11[O]%12[W]%13%14(=O)(O[W]%15%16%17(=[O][Co]%18([OH2])([OH2])[O]=[W]%19([O]9%15%18)(O%16)(=O)O[W]8(O%10)(=O)(O1)O[W]18([O]9%11[W](O5)(O[W]%12(O4)(=O)(=O)O%13)(=O)(O1)O[W]9(O%14)(=O)(O8)O%17)(O%19)=O)=O)=O)=O)([O]63)=O)(O7)=O)=[O]2)([OH2])([OH2])[OH2].[K+].O.[K+].[K+].[K+].[Na+].[K+].O.[Na+].[Na+].[Na+].O.[Na+].O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O |
| Title of publication | Di- and Tri-Cobalt Silicotungstates: Synthesis, Characterization, and Stability Studies |
| Authors of publication | Guibo Zhu; Yurii V. Geletii; Jie Song; Chongchao Zhao; Elliot N. Glass; John Bacsa; Craig L. Hill |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 1018 - 1024 |
| a | 12.846 ± 0.005 Å |
| b | 18.671 ± 0.007 Å |
| c | 20.889 ± 0.007 Å |
| α | 69.166 ± 0.005° |
| β | 87.147 ± 0.006° |
| γ | 81.561 ± 0.006° |
| Cell volume | 4632 ± 3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0681 |
| Residual factor for significantly intense reflections | 0.0524 |
| Weighted residual factors for significantly intense reflections | 0.143 |
| Weighted residual factors for all reflections included in the refinement | 0.152 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179439 (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 4/33/36. |
4333618.cif |
| 99414 | 2014-01-31 | cif/ Adding structures of 4333618 via cif-deposit CGI script. |
4333618.cif |
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Users of the data should acknowledge the original authors of the
structural data.