Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1543977
Preview
| Coordinates | 1543977.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H86 N2 Na6 O95 Ru2 Te2 W20 |
|---|---|
| Calculated formula | C20 H36 N2 Na6 O97 Ru2 Te2 W20 |
| SMILES | [cH]12[cH]3[cH]4[cH]5[cH]6[cH]1[Ru]1723456[O]=[W]234(=O)[O]56[W]89(O3)(=O)O[W]3%10(=O)(=O)O[W]%11%12%13(=[O]7)O[W]7%14%15(=O)O[W]%16%17(=O)(O%13)O[W]%13%18%19(=O)O[W]%20(=O)(O%12)(=O)O[W]%12%21%22(=O)O[W]%23%24%25(=O)[O]%12([W](=O)(=[O]1)(O2)(O%25)O%21)[Te]6[O]12[W]6(O%20)(O[W]1(=O)(O[W]2(O8)(O[W]5(O9)(=O)(O%23)O4)(=O)O6)(O%22)O%24)(O%10)=[O][Ru]124568([cH]9[cH]4[cH]5[cH]6[cH]1[cH]29)[O]=[W]12(=O)(O%13)O[W]4(O%18)(O%16)(=O)[O]1%19[Te]([O]7%11%17)[O]15[W]6(=O)(=[O]8)(O2)O[W]1(O%15)(O3)(=O)O[W]5(=O)(O%14)(O4)O6.[Na+].O.[Na+].[Na+].O.O.[Na+].O.O.O.O.O.C[N+](C)(C)C.O.[Na+].O.O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.C[N+](C)(C)C |
| Title of publication | A new organo-ruthenium substituted tungstotellurate: synthesis, structural characterization and catalytic properties |
| Authors of publication | Zheng, Da-Ming; Wang, Rui-Qiang; Du, Yu; Hou, Guang-Feng; Wu, Li-Xin; Bi, Li-Hua |
| Journal of publication | New J. Chem. |
| Year of publication | 2016 |
| Journal volume | 40 |
| Journal issue | 10 |
| Pages of publication | 8829 |
| a | 32.117 ± 0.002 Å |
| b | 13.8184 ± 0.0004 Å |
| c | 26.7619 ± 0.0012 Å |
| α | 90° |
| β | 110.83 ± 0.006° |
| γ | 90° |
| Cell volume | 11100.8 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0866 |
| Residual factor for significantly intense reflections | 0.0624 |
| Weighted residual factors for significantly intense reflections | 0.1294 |
| Weighted residual factors for all reflections included in the refinement | 0.145 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187163 (current) | 2016-10-08 | cif/ Updating files of 1543977 Original log message: Adding full bibliography for 1543977.cif. |
1543977.cif |
| 186008 | 2016-08-26 | cif/ Adding structures of 1543977 via cif-deposit CGI script. |
1543977.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.