Information card for entry 4309760

Structure parameters

• Formula: C12 H54 Na4 O55 Rb2 Ru2 Si W9
• Calculated formula: C12 H12 Na3.9 O55 Rb1.25 Ru2 Si W9
• SMILES: [W]1234([O]56[W]789(=O)[O]1[Ru]1%10%11%12%13%14([cH]%15[cH]%13[cH]%12[cH]%11[cH]%10[cH]1%15)[O]2[W]15(=O)([O]7%14)O[W]25([O]7[W](=O)(=O)(O4)(O5)O[W]45([O]%10%11[W](=O)(=[O][Ru]%12%13%14%15%16%11([cH]%11[cH]%12[cH]%13[cH]%14[cH]%15[cH]%16%11)[O]=4)(O9)(O[W]4([O]([W](=O)(=O)(O1)(O2)O4)[Si]67%10)(=O)(=O)O8)O5)(=O)O3)(=O)=O)=O.[Rb+].[Rb+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Trilacunary Heteropolytungstates Functionalized by Organometallic Ruthenium(II), [(RuC6H6)2XW9O34]6- (X = Si, Ge)
• Authors of publication: Li-Hua Bi; Ulrich Kortz; Michael H. Dickman; Bineta Keita; Louis Nadjo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 7485 - 7493
• a: 11.9415 ± 0.0002 Å
• b: 13.3123 ± 0.0002 Å
• c: 19.4927 ± 0.0004 Å
• α: 96.646 ± 0.001°
• β: 95.157 ± 0.001°
• γ: 98.256 ± 0.001°
• Cell volume: 3028.08 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No