Information card for entry 7048677

Structure parameters

• Formula: C34 H51 B10 Cl2 N2 O Ru S2
• Calculated formula: C34 H51 B10 Cl2 N2 O Ru S2
• Title of publication: Synthesis, catalysis, and DFT study of a ruthenium carbene complex bearing a 1,2-dicarbadodecaborane (12)-1,2-dithiolate ligand.
• Authors of publication: Wang, Tao; Wu, Botao; Guo, Weijie; Wu, Shutao; Zhang, Huiqing; Dang, Yanfeng; Wang, Jianhui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 8
• Pages of publication: 2646 - 2656
• a: 11.21465 ± 0.00012 Å
• b: 21.5494 ± 0.0002 Å
• c: 17.6658 ± 0.0002 Å
• α: 90°
• β: 104.998 ± 0.0012°
• γ: 90°
• Cell volume: 4123.85 ± 0.08 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 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: 0.0408
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No