Information card for entry 4070027

Structure parameters

• Formula: C47 H42 B Cl F4 N2 O P2 Ru
• Calculated formula: C47 H42 B Cl F4 N2 O P2 Ru
• SMILES: [Ru](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(N=O)([N]#CC)\C=C/c1ccc(cc1)C.[B](F)(F)(F)[F-]
• Title of publication: Protonation of a Ruthenium Vinylidene Complex with a NO Ligand Leading to Ruthenium Vinyl Complexes
• Authors of publication: Arikawa, Yasuhiro; Yamasaki, Hayato; Yamaguchi, Mamoru; Umakoshi, Keisuke; Onishi, Masayoshi
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 18
• Pages of publication: 5587
• a: 12.144 ± 0.0009 Å
• b: 13.7565 ± 0.0008 Å
• c: 15.2241 ± 0.001 Å
• α: 90.8268 ± 0.0014°
• β: 111.285 ± 0.0017°
• γ: 109.065 ± 0.0017°
• Cell volume: 2214.2 ± 0.3 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No