Information card for entry 7212780

Structure parameters

• Formula: C6 H18 K2 Na7 O50 Ru S3 V2 W7
• Calculated formula: C6 H18 K2 Na5.5 O50 Ru S3 V2 W7
• SMILES: [K+].[K+].O.[Na+].O.[V](=O)([O-])([O-])[O-].[Na+].O.[Na+].O.O.O.[Na+].O.O.O.[Na+].[Na+].O.O.O.O.O.O.C[S](=O)(C)[Ru]12([S](=O)(C)C)([S](=O)(C)C)[O]=[V]34O[W]56(O[W]78(=O)(=O)O[W]9(O7)(=O)(=O)[O]7[W](O3)(O9)(=O)(=O)O[W]39(O[W]%107([O]58)(=O)[O]43[W](O6)(=O)(=[O]2)(O9)O%10)(=O)=[O]1)(=O)=O
• Title of publication: A novel heptatungstovanadate fragment stabilized by organo-ruthenium group: [HVW7O28Ru(dmso)3]6−
• Authors of publication: Bi, Li-Hua; Wang, Bin; Hou, Guang-Feng; Li, Bao; Wu, Li-Xin
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 3511
• a: 15.015 ± 0.003 Å
• b: 23.777 ± 0.005 Å
• c: 16.319 ± 0.003 Å
• α: 90°
• β: 92.23 ± 0.03°
• γ: 90°
• Cell volume: 5822 ± 2 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: 0.0537
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No