Information card for entry 7042664

Structure parameters

• Formula: C48 H54 Cl2 P4 Ru Si2
• Calculated formula: C48 H54 Cl2 P4 Ru Si2
• SMILES: [Ru]12(Cl)(Cl)([p]3c([Si](C)(C)C)ccc(c3[P]1(c1ccccc1)c1ccccc1)C)[p]1c([Si](C)(C)C)ccc(c1[P]2(c1ccccc1)c1ccccc1)C.c1ccccc1
• 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: 19.2383 ± 0.0011 Å
• b: 25.4095 ± 0.0017 Å
• c: 10.8916 ± 0.0006 Å
• α: 90°
• β: 105.042 ± 0.003°
• γ: 90°
• Cell volume: 5141.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1197
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No