Information card for entry 4084967

Structure parameters

• Formula: C25 H31 B N P
• Calculated formula: C25 H31 B N P
• SMILES: P(Cc1c(BN(C(C)C)C(C)C)cccc1)(c1ccccc1)c1ccccc1
• Title of publication: B‒C Bond Cleavage and Ru‒C Bond Formation from a Phosphinoborane: Synthesis of a Bis-σ Borane Aryl-Ruthenium Complex
• Authors of publication: Cassen, Audrey; Vendier, Laure; Daran, Jean-Claude; Poblador-Bahamonde, Amalia I.; Clot, Eric; Alcaraz, Gilles; Sabo-Etienne, Sylviane
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 24
• Pages of publication: 7157
• a: 42.753 ± 0.01 Å
• b: 9.693 ± 0.005 Å
• c: 11.144 ± 0.005 Å
• α: 90°
• β: 100.832 ± 0.005°
• γ: 90°
• Cell volume: 4536 ± 3 ų
• Cell temperature: 106 ± 2 K
• Ambient diffraction temperature: 106 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No