Information card for entry 4336568

Structure parameters

• Formula: C36 H52 B F4 O12 Ru2
• Calculated formula: C36 H48 B F4.016 O12 Ru2
• Title of publication: tert-Butyl Hydroperoxide Oxygenation of Organic Sulfides Catalyzed by Diruthenium(II,III) Tetracarboxylates
• Authors of publication: Leslie Villalobos; Julia E. Barker Paredes; Zhi Cao; Tong Ren
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 12545 - 12552
• a: 9.7724 ± 0.0004 Å
• b: 24.1791 ± 0.0009 Å
• c: 18.0905 ± 0.0007 Å
• α: 90°
• β: 96.535 ± 0.001°
• γ: 90°
• Cell volume: 4246.8 ± 0.3 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No