Information card for entry 4071341

Structure parameters

• Common name: complex 8a
• Formula: C56 H76 Cl4 O4 P2 Ru
• Calculated formula: C56 H74 Cl4 O4 P2 Ru
• SMILES: [P]1(=C2C(=C(C2=[P](c2c(cc(cc2C(C)(C)C)C(C)(C)C)C(C)(C)C)[Ru]1(Cl)(Cl)(C#[O])[OH2])c1ccc(cc1)OC)c1ccc(cc1)OC)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C.C(Cl)Cl
• Title of publication: Synthesis and Reactions of Diphosphinidenecyclobutene Ruthenium Complexes Relevant to Catalytic Hydrosilylation of Terminal Alkynes
• Authors of publication: Hayashi, Akito; Yoshitomi, Takahiko; Umeda, Kazutoshi; Okazaki, Masaaki; Ozawa, Fumiyuki
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 10
• Pages of publication: 2321
• a: 14.556 ± 0.015 Å
• b: 14.86 ± 0.02 Å
• c: 15.45 ± 0.02 Å
• α: 81.08 ± 0.11°
• β: 64.64 ± 0.09°
• γ: 71.75 ± 0.1°
• Cell volume: 2867 ± 7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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 all reflections: 0.1178
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.2292
• Weighted residual factors for all reflections included in the refinement: 0.3074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No