Information card for entry 7209848

Structure parameters

• Formula: C18 H53 As2 Na6 Ni4 O83.5 Ru3 W17
• Calculated formula: C18 H18 As2 Na4 Ni4 O83.5 Ru3 W17
• SMILES: [As]123=[O]4[W]56(O[W]789([O]%101[W]1%11(O[W]%12%10(=O)([O]5[Ru]5%10%13%14%15%16([O]6[W]64(=O)(=O)O[W]4%17%18(O[W]%19(=O)(=[O][Ni]%20%21([OH2])([O]%222[Ni]2%23%24([O]%25[Ru]%26%27%28%29%30%31([O]%32[Ni]%33%34([OH2])([O]%35[Ru]%36%37%38%39%40%41([O]%33[Ni]%33%42%22([O]=7)[O]%21[W]7%21%22(=O)O[W]%43%44%45(=O)O[W]%46%47%48(=O)[O]%49%50[As]%51(=[O]%52%53[W]%54(=O)(O[W]%25%52(=O)(O[W]%53(=O)(O%46)(O%54)O%43)O[W]%32%50(=O)(O[W]%35%49(O[W](=O)([O]%21%44%51)(O%22)(O%45)[O]%36%33)(=O)O%47)O%48)([O]%202)O7)[O]%24%34%42)[cH]2[cH]%37[cH]%38[cH]%39[cH]%40[cH]%412)[O]%23%26)[cH]2[cH]%31[cH]%30[cH]%29[cH]%28[cH]%272)[O]=%17)[O]=1)(O[W]([O]34%19)(O%12)(O%18)([O]56)=O)O%11)=O)[cH]1[cH]%10[cH]%13[cH]%14[cH]%15[cH]%161)O9)(=O)O8)=O)(=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Organo-Ru supported sandwich-type tungstoarsenates: synthesis, structure and catalytic properties
• Authors of publication: Meng, Rui-Qi; Suo, Lin; Hou, Guang-Feng; Liang, Jing; Bi, Li-Hua; Li, Hao-Long; Wu, Li-Xin
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 29
• Pages of publication: 5867
• a: 17.222 ± 0.003 Å
• b: 21.526 ± 0.004 Å
• c: 26.316 ± 0.009 Å
• α: 90°
• β: 109.84 ± 0.03°
• γ: 90°
• Cell volume: 9177 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1115
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No