Information card for entry 7022927

Structure parameters

• Formula: C194 H16 N21 O78 Ru2 Si2 W22
• Calculated formula: C194 H16 N21 O78 Ru2 Si2 W22
• SMILES: [W]1234(O[Ru]567(O[W]89(=O)(O2)O[W]2%10%11(O[W]%12%13(O5)(=O)O[W]5%14(O6)(=O)O[W]6%15(O1)(=O)[O]14[W]4(O3)(O6)(O[W]3(O8)([O]92[Si]1([O]7%125)[O]12[W]5(O%13)(O%11)(O[W]1(O%14)(O%15)(=O)O[W]2(O4)(O3)(O5)=O)=O)(O%10)=O)=O)=O)[n]1ccc(cc1)c1ccncc1)=O.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.N#CC.N#CC.N#CC.N#CC
• Title of publication: Preparation of tetrabutylammonium salt of a mono-Ru(III)-substituted α-Keggin-type silicotungstate with a 4,4'-bipyridine ligand and its electrochemical behaviour in organic solvents.
• Authors of publication: Ogo, Shuhei; Moroi, Sachie; Ueda, Tadaharu; Komaguchi, Kenji; Hayakawa, Shinjiro; Ide, Yusuke; Sano, Tsuneji; Sadakane, Masahiro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 19
• Pages of publication: 7190 - 7195
• a: 20.3725 ± 0.0004 Å
• b: 27.4946 ± 0.0005 Å
• c: 28.3758 ± 0.0006 Å
• α: 89.68 ± 0.006°
• β: 70.539 ± 0.005°
• γ: 70.719 ± 0.005°
• Cell volume: 14047.9 ± 0.9 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.25
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No