Information card for entry 4081152

Structure parameters

• Formula: C72 H51 B F24 P2 Ru
• Calculated formula: C72 H51 B F24 P2 Ru
• SMILES: [Ru]1234567([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C(=C(CC)C1C=C[c]82[cH]3[cH]4[cH]5[cH]6[c]718)C.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: Reactivities of Indenylruthenium Complex toward Internal Alkynes: Formation of Disubstituted Vinylidene Complexes and Indenyl‒Alkyne Coupling
• Authors of publication: Ikeda, Yousuke; Mutoh, Yuichiro; Imai, Kohei; Tsuchida, Noriko; Takano, Keiko; Ishii, Youichi
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 15
• Pages of publication: 4353
• a: 13.559 ± 0.003 Å
• b: 24.731 ± 0.004 Å
• c: 20.187 ± 0.004 Å
• α: 90°
• β: 99.449 ± 0.003°
• γ: 90°
• Cell volume: 6677 ± 2 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: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.1685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No