Information card for entry 7010680

Structure parameters

• Formula: C24 H46 Cl2 O10 Ru4
• Calculated formula: C24 H27 Cl2 O10 Ru4
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]6[cH]1[Ru]178923456[OH]2[Ru]3456%10%11%128([Ru]8%13%14%15%161([cH]1[cH]8[cH]%14[cH]%16[cH]%15[cH]%131)[Ru]18%13%14%1592%11([H]7)([cH]2[cH]8[cH]%14[cH]%15[cH]%13[cH]12)[H]%12)[cH]1[cH]3[cH]4[cH]5[cH]6[cH]%101.O.O.O.O.O.O.[Cl-].O.O.O.[Cl-]
• Title of publication: Nucleophilic addition reactions on the electron-deficient cluster dication [H4Ru4(C6H6)4]2+: synthesis and structural characterisation of the water-soluble cluster cations [H3Ru4(C6H6)4(CO)]+and [H3Ru4(C6H6)4(OH)]2+†
• Authors of publication: Chérioux, Frédéric; Maisse-François, Aline; Neels, Antonia; Stoeckli-Evans, Helen; Süss-Fink, Georg
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 14
• Pages of publication: 2184
• a: 9.4441 ± 0.001 Å
• b: 16.2936 ± 0.0013 Å
• c: 11.2913 ± 0.0012 Å
• α: 90°
• β: 106.534 ± 0.012°
• γ: 90°
• Cell volume: 1665.6 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 8
• Hermann-Mauguin space group symbol: C 1 m 1
• Hall space group symbol: C -2y
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No