Information card for entry 4078880

Structure parameters

• Formula: C76 H49 B F24 P2 Ru
• Calculated formula: C76 H49 B F24 P2 Ru
• Title of publication: Formation of (Alkenylphosphonio)phenylruthenium Complexes from Diphenylacetylene and a [CpRu(dppm)] Cation: Experimental Evidence for the Equilibrium between η1-Disubstituted Vinylidene and η2-Internal Alkyne
• Authors of publication: Mutoh, Yuichiro; Kimura, Yusuke; Ikeda, Yousuke; Tsuchida, Noriko; Takano, Keiko; Ishii, Youichi
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 14
• Pages of publication: 5150
• a: 16.69 ± 0.002 Å
• b: 18.527 ± 0.002 Å
• c: 24.597 ± 0.003 Å
• α: 69.419 ± 0.004°
• β: 84.293 ± 0.005°
• γ: 78.708 ± 0.005°
• Cell volume: 6978.6 ± 1.4 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 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 significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.1594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No