Information card for entry 4313198

Structure parameters

• Formula: C30 H42 O12 Ru3 S
• Calculated formula: C30 H42 O12 Ru3 S
• SMILES: CC1=CC(C)=[O][Ru]234(C5C(C)=[O][Ru]67([O]=C5C)([S]2[Ru]25(C(C(C)=[O]3)C(=[O]4)C)(OC(=CC(C)=[O]2)C)[O]=C(C)C6C(=[O]5)C)OC(=CC(C)=[O]7)C)O1
• Title of publication: First Example of μ3-Sulfido Bridged Mixed-Valent Triruthenium Complex Triangle RuIII2RuII(O,O-acetylacetonate)3(μ-O,O,γ-C-acetylacetonate)3(μ3-S) (1) Incorporating Simultaneous O,O- and γ-C-Bonded Bridging Acetylacetonate Units. Synthesis, Crystal Structure, and Spectral and Redox Properties
• Authors of publication: Srikanta Patra; Biplab Mondal; Biprajit Sarkar; Mark Niemeyer; Goutam Kumar Lahiri
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 1322 - 1327
• a: 16.458 ± 0.002 Å
• b: 16.458 ± 0.002 Å
• c: 47.153 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11061 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1108
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No