Information card for entry 7042662

Structure parameters

• Formula: C21 H27 B P2 Si
• Calculated formula: C21 H27 B P2 Si
• SMILES: p1c([P](c2ccccc2)(c2ccccc2)[BH3])c(ccc1[Si](C)(C)C)C
• Title of publication: A Ruthenium(II) Bis(Phosphinophosphinine) Complex as a Precatalyst for Transfer-Hydrogenation and Hydrogen-Borrowing Reactions
• Authors of publication: Newland, Robert J.; Wyatt, Mark Francis; Wingad, Richard; Mansell, Stephen M.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.1934 ± 0.0005 Å
• b: 9.308 ± 0.0004 Å
• c: 22.7635 ± 0.0009 Å
• α: 90°
• β: 102.195 ± 0.002°
• γ: 90°
• Cell volume: 2111.07 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No