Information card for entry 7016121

Structure parameters

• Formula: C34 H56 B20 Cl4 Ru2 S5
• Calculated formula: C34 H56 B20 Cl4 Ru2 S5
• Title of publication: Reactivity of the 16e (p-cymene)Ru half-sandwich complex containing a chelating 1,2-dicarba-closo-dodecaborane-1,2-dithiolate ligand towards diynes.
• Authors of publication: Xu, Zhi-Wei; Han, Lei; Ji, Cheng; Zhang, Rui; Shen, Xu-Jie; Yan, Hong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 26
• Pages of publication: 6992 - 6997
• a: 12.395 ± 0.003 Å
• b: 14.97 ± 0.003 Å
• c: 15.151 ± 0.003 Å
• α: 68.2 ± 0.03°
• β: 87.43 ± 0.03°
• γ: 89.97 ± 0.03°
• Cell volume: 2607.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0763
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No