Information card for entry 7708226

Structure parameters

• Formula: C42 H50 P4 Ru Si2
• Calculated formula: C42 H50 P4 Ru Si2
• SMILES: [RuH2]12([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
• Title of publication: A ruthenium <i>cis</i>-dihydride with 2-phosphinophosphinine ligands catalyses the acceptorless dehydrogenation of benzyl alcohol.
• Authors of publication: Trodden, Elizabeth C.; Delve, Matthew P.; Luz, Christian; Newland, Robert J.; Andresen, John M.; Mansell, Stephen M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• a: 14.5408 ± 0.0005 Å
• b: 10.5871 ± 0.0003 Å
• c: 27.8908 ± 0.0009 Å
• α: 90°
• β: 104.198 ± 0.001°
• γ: 90°
• Cell volume: 4162.5 ± 0.2 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: 0.0256
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No