Information card for entry 4087225

Structure parameters

• Formula: C31 H42 F6 N P Ru2 S2
• Calculated formula: C31 H42 F6 N P Ru2 S2
• Title of publication: C‒H Activation of Cp* Ligand Coordinated to Ruthenium Center: Synthesis and Reactivity of a Thiolate-Bridged Diruthenium Complex Featuring Fulvene-like Cp* Ligand
• Authors of publication: Ji, Xiaoxiao; Yang, Dawei; Tong, Peng; Li, Jianzhe; Wang, Baomin; Qu, Jingping
• Journal of publication: Organometallics
• Year of publication: 2017
• a: 8.6965 ± 0.0006 Å
• b: 27.3649 ± 0.0018 Å
• c: 15.0412 ± 0.001 Å
• α: 90°
• β: 105.334 ± 0.001°
• γ: 90°
• Cell volume: 3452.1 ± 0.4 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 7
• 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: 0.0413
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No