Information card for entry 1543977

Structure parameters

• 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 ų
• 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