Information card for entry 4078881

Structure parameters

• Formula: C76 H49 B F24 P2 Ru
• Calculated formula: C76 H49 B F24 P2 Ru
• SMILES: [Ru]1234567([P](C[P+]([C]1(=[CH]2c1ccccc1)c1ccccc1)(c1c3cccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[cH]1[cH]4[cH]5[cH]6[cH]71.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• 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: 11.792 ± 0.004 Å
• b: 18.592 ± 0.005 Å
• c: 31.093 ± 0.009 Å
• α: 90°
• β: 94.878 ± 0.003°
• γ: 90°
• Cell volume: 6792 ± 4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No