Information card for entry 4087222

Structure parameters

• Formula: C26 H33 F6 I2 P Ru2 S2
• Calculated formula: C26 H33 F6 I2 P Ru2 S2
• SMILES: [Ru]12345([S]6[Ru]789%10%11%12([S]1[c]18cccc[c]916)[c]1([c]%10([c]7([c]%11([c]%121C)C)C)C)C)(I)[c]1([c]5([c]4([c]3([c]21C)C)C)C)CI.[P](F)(F)(F)(F)(F)[F-]
• 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: 12.91 ± 0.004 Å
• b: 9.21 ± 0.003 Å
• c: 27.554 ± 0.009 Å
• α: 90°
• β: 93.761 ± 0.004°
• γ: 90°
• Cell volume: 3269.1 ± 1.8 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 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: 0.0437
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No