Information card for entry 7113991

Structure parameters

• Formula: C39 H41 P Ru Si
• Calculated formula: C39 H41 P Ru Si
• SMILES: [RuH2]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([Si](CC)(CC)CC)[cH]5[cH]1[c]2([c]13cccc[c]451)c1ccccc1
• Title of publication: Ruthenium catalysed C-H bond borylation
• Authors of publication: Jose A. Fernandez-Salas; Simone Manzini; Lorenzo Piola; Alexandra M. Z. Slawin; Steven P. Nolan
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 6782
• a: 12.313 ± 0.004 Å
• b: 16.396 ± 0.004 Å
• c: 16.702 ± 0.005 Å
• α: 90°
• β: 103.661 ± 0.006°
• γ: 90°
• Cell volume: 3276.5 ± 1.7 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No