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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 |
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The link is: https://www.crystallography.net/1543977.html
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