Information card for entry 7121589

Structure parameters

• Formula: C77 H54 B F24 O P Ru
• Calculated formula: C77 H54 B F24 O P Ru
• Title of publication: P-C reductive elimination in Ru(ii) complexes to convert triarylphosphine ligands into five- or six-membered phosphacycles.
• Authors of publication: Kuwabara, Takuya; Kato, Takahiro; Takano, Kouichi; Kodama, Shintaro; Manabe, Yuuka; Tsuchida, Noriko; Takano, Keiko; Minami, Yasunori; Hiyama, Tamejiro; Ishii, Youichi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 42
• Pages of publication: 5357 - 5360
• a: 12.7071 ± 0.0014 Å
• b: 15.3471 ± 0.0014 Å
• c: 19.473 ± 0.002 Å
• α: 111.924 ± 0.004°
• β: 92.508 ± 0.005°
• γ: 99.722 ± 0.007°
• Cell volume: 3448.6 ± 0.6 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1617
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No