Information card for entry 4088457

Structure parameters

• Formula: C128 H102 B2 Cl4 F48 N4 Ru2 S2
• Calculated formula: C128 H102 B2 Cl4 F48 N4 Ru2 S2
• Title of publication: An Air-Stable Dimeric Ru‒S Complex with an NHC as Ancillary Ligand for Cooperative Si‒H Bond Activation
• Authors of publication: Bähr, Susanne; Simonneau, Antoine; Irran, Elisabeth; Oestreich, Martin
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 7
• Pages of publication: 925
• a: 24.3853 ± 0.0003 Å
• b: 16.0918 ± 0.0002 Å
• c: 33.0002 ± 0.0004 Å
• α: 90°
• β: 102.955 ± 0.0013°
• γ: 90°
• Cell volume: 12619.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 8
• 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: 0.1394
• Residual factor for significantly intense reflections: 0.1032
• Weighted residual factors for significantly intense reflections: 0.2242
• Weighted residual factors for all reflections included in the refinement: 0.2494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No