Information card for entry 7102412

Structure parameters

• Common name: (H!2$S!2$Ru!4$(C!6$H!6$)!4$)Cl!2$ water solvate
• Chemical name: [H~2~S~2~Ru~4~(C~6~H~6~)~4~]Cl~2~ water solvate
• Formula: C24 H34 Cl2 O4 Ru4 S2
• Calculated formula: C24 H26 Ru4 S2
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]6[cH]1[Ru]9%1023456[S]2[Ru]3456%11%13([cH]1[cH]3[cH]4[cH]5[cH]6[cH]%111)[S]1[Ru]3456%11([cH]7[cH]%11[cH]6[cH]5[cH]4[cH]37)([H]9[Ru]3456721[cH]1[cH]3[cH]4[cH]5[cH]6[cH]71)[H]%10%13
• Title of publication: Elimination of sulfur from aromatic heterocycles by a water-soluble arene ruthenium cluster: synthesis and molecular structure of [H2S2Ru4(C6H6)4]Cl2.
• Authors of publication: Chérioux, Frédéric; Therrien, Bruno; Süss-Fink, Georg
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 2
• Pages of publication: 204 - 205
• a: 8.8976 ± 0.0008 Å
• b: 10.6766 ± 0.0009 Å
• c: 16.6743 ± 0.0015 Å
• α: 92.506 ± 0.01°
• β: 95.275 ± 0.011°
• γ: 91.945 ± 0.01°
• Cell volume: 1574.6 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No