Information card for entry 4116230

Structure parameters

• Formula: C43 H62 B Cl F4 O2 Ru2 S2
• Calculated formula: C43 B0.5 Cl F2 O1.5 Ru2 S2
• Title of publication: Novel Propargylic Substitution Reactions Catalyzed by Thiolate-Bridged Diruthenium Complexes via Allenylidene Intermediates
• Authors of publication: Yoshiaki Nishibayashi; Issei Wakiji; Masanobu Hidai
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 11019 - 11020
• a: 9.532 ± 0.006 Å
• b: 24.712 ± 0.008 Å
• c: 38.47 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9062 ± 7 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 8
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 2.428
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No