Information card for entry 7102699

Structure parameters

• Formula: C12 H88 Na7 O64.5 Ru2 S6 W9
• Calculated formula: C12 H36 Na4 O67.5 Ru2 S6 W9
• SMILES: [S](=O)([Ru]12([O]=[W]345(O[W]678(=[O][Ru]9([O]=[W]%10%11%12(O[W]%13(O[W]%14%15(O[W]%16%17(O[W](O%14)(=O)([O]%15%17)(=[O]2)O[W](O%16)(O6)(O3)(=O)[O]58)(=O)=[O]9)(=O)O%11)(=[O]1)(O[W](O%10)(O7)(=O)(O4)[O]%12%13)=O)=O)([S](=O)(C)C)([S](=O)(C)C)[S](=O)(C)C)=O)=O)([S](=O)(C)C)[S](=O)(C)C)(C)C.[Na+].O.[Na+].O.O.[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: A novel isopolytungstate functionalized by ruthenium: [HW(9)O(33)Ru(II)(2)(dmso)(6)](7-).
• Authors of publication: Bi, Lihua; Hussain, Firasat; Kortz, Ulrich; Sadakane, Masahiro; Dickman, Michael H
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 12
• Pages of publication: 1420 - 1421
• a: 13.1572 ± 0.0006 Å
• b: 13.1572 ± 0.0006 Å
• c: 40.101 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6011.9 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No