Information card for entry 4083333

Structure parameters

• Formula: C49 H38 B F10 P Ru
• Calculated formula: C49 H38 B F10 P Ru
• SMILES: [Ru]123456([P](c7ccccc7)(c7ccccc7)c7ccccc7)([H][B]([C]1#[C]2c1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)[cH]1[cH]6[cH]5[cH]4[cH]31.C1CCCCC1
• Title of publication: Reactions of Ru-alkynyl Complexes with Electrophilic Boranes
• Authors of publication: Boone, Michael P.; Stephan, Douglas W.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 20
• Pages of publication: 5537
• a: 9.7474 ± 0.001 Å
• b: 18.4021 ± 0.0016 Å
• c: 24.467 ± 0.003 Å
• α: 87.381 ± 0.007°
• β: 81.646 ± 0.007°
• γ: 74.766 ± 0.006°
• Cell volume: 4189.4 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.2201
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.1686
• Weighted residual factors for all reflections included in the refinement: 0.222
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No