Information card for entry 4075957

Structure parameters

• Formula: C47 H50 Cl4 F3 N2 O3 P3 Ru S
• Calculated formula: C47 H49 Cl4 F3 N2 O3 P3 Ru S
• Title of publication: Ruthenium-PromotedZ-Selective Head-to-Head Dimerization of Terminal Alkynes in Organic and Aqueous Media
• Authors of publication: Chen, Xingguo; Xue, Peng; Sung, Herman H. Y.; Williams, Ian D.; Peruzzini, Maurizio; Bianchini, Claudio; Jia, Guochen
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 18
• Pages of publication: 4330
• a: 23.587 ± 0.005 Å
• b: 16.031 ± 0.003 Å
• c: 26.653 ± 0.005 Å
• α: 90°
• β: 104.843 ± 0.004°
• γ: 90°
• Cell volume: 9742 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• 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: 0.1052
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No