Information card for entry 4309759

Structure parameters

• Formula: C12 H51 Cs2 Ge Na4 O53.5 Ru2 W9
• Calculated formula: C12 H12 Cs1.5 Ge Na3.5 O53.5 Ru2 W9
• SMILES: [W]1234([O]56[W]789([O]1[Ru]1%10%11%12%13%14([O]2[W]25([O]71)(O[W]15([O]7[W](O9)(O[W]9%15([O]%16%17[W](O3)(O9)(O[W]3([O]([W](O2)(O5)(O3)(=O)=O)[Ge]67%17)(O4)(=O)=O)(=O)=[O][Ru]23456%16([O]=%15)[cH]7[cH]2[cH]3[cH]4[cH]5[cH]67)(O8)=O)(O1)(=O)=O)(=O)=O)=O)[cH]1[cH]%14[cH]%13[cH]%12[cH]%11[cH]%101)=O)=O.[Cs+].[Cs+].[Na+].[Na+].[Na+].[Na+].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: 11.93 ± 0.004 Å
• b: 13.353 ± 0.004 Å
• c: 19.586 ± 0.006 Å
• α: 95.982 ± 0.005°
• β: 95.414 ± 0.006°
• γ: 98.142 ± 0.005°
• Cell volume: 3052.9 ± 1.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.1375
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No