Information card for entry 4076023

Structure parameters

• Formula: C20 H44 P4 Ru S
• Calculated formula: C20 H44 P4 Ru S
• Title of publication: Stoichiometric and Catalytic sp3C-H/D2Exchange Reactions ofortho-Substituted Benzenethiol and Phenols by a Ruthenium(II) Complex. Effect of a Chalcogen Anchor on the Bond Cleavage Reaction
• Authors of publication: Hirano, Masafumi; Sakaguchi, Yuko; Yajima, Toshiaki; Kurata, Naoki; Komine, Nobuyuki; Komiya, Sanshiro
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 20
• Pages of publication: 4799
• a: 9.566 ± 0.004 Å
• b: 16.24 ± 0.02 Å
• c: 17.769 ± 0.004 Å
• α: 90.01 ± 0.05°
• β: 105.29 ± 0.02°
• γ: 89.97 ± 0.06°
• Cell volume: 2663 ± 4 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections included in the refinement: 0.0503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No