Information card for entry 4083332

Structure parameters

• Formula: C73 H46 B F15 P2 Ru
• Calculated formula: C73 H46 B F15 P2 Ru
• SMILES: [Ru]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)(=C=C(c5ccccc5)c5c(F)c(F)c([B](F)(c6c(F)c(F)c(F)c(F)c6F)c6c(F)c(F)c(F)c(F)c6F)c(F)c5F)[cH]5[cH]4[cH]3[cH]2[cH]15.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: 11.7355 ± 0.0017 Å
• b: 16.195 ± 0.002 Å
• c: 17.148 ± 0.003 Å
• α: 94.811 ± 0.009°
• β: 99.771 ± 0.009°
• γ: 106.499 ± 0.009°
• Cell volume: 3049.3 ± 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: 0.1746
• Residual factor for significantly intense reflections: 0.0934
• Weighted residual factors for significantly intense reflections: 0.2119
• Weighted residual factors for all reflections included in the refinement: 0.2611
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No