Information card for entry 7201102

Structure parameters

• Formula: C18 H56 As2 K1.5 Na4.5 O84.5 Ru3 W17 Zn4
• Calculated formula: C18 H18 As2 K1.5 Na4.5 O85.5 Ru3 W17 Zn4
• SMILES: [W]1234(O[W]567(O[W]89%10(=O)O[W]%11%12(O5)(=O)[O]79=[As]57[O]9%13[W]%14%15(O[W]9(O6)(=O)(O1)O[W]1%13(O%14)(=O)O[W]69(O2)(O[W](O3)([O]456)(=O)([O]2[Ru]3456%13%14([O]%11[Zn]%11%16%17([O]%187[Zn]7%19%20([O]%15[Ru]%15%21%22%23%24([O]%167)([O]%10%17)[cH]7[cH]%23[cH]%22[cH]%21[cH]%15[cH]%247)[O]1[Zn]17%10([O]9[Zn]92%18([O]3%11)[O]%201=[As]12[O]3%11[W]%15%16(=[O]%10)(=O)O[W]%103(=[O]9)(=O)O[W]39([O]1[W]1%17(O[W]%18%20(=[O]%19)(=O)O[W]%19(=[O]7)(=O)(O%15)O[W]7([O]%17[Ru]%15%17%21%22%23([O]31)([O]9[W]%11(O%10)(=O)(O%16)O7)[cH]1[cH]%15[cH]%17[cH]%21[cH]%22[cH]%231)([O]2%18%19)(O%20)=O)(=O)=O)(=O)=O)[OH2])[OH2])[cH]1[cH]4[cH]5[cH]6[cH]%13[cH]%141)O%12)=O)(O8)=O)=O)=O.[K+].[K+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: An organo-ruthenium grafted zinc-substituted tungstoarsenate
• Authors of publication: Bi, Li-Hua; Hou, Guang-Feng; Wu, Li-Xin; Kortz, Ulrich
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 1532
• a: 17.345 ± 0.004 Å
• b: 21.607 ± 0.004 Å
• c: 26.322 ± 0.005 Å
• α: 90°
• β: 110.05 ± 0.02°
• γ: 90°
• Cell volume: 9267 ± 3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 9
• 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: 0.0878
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No