Information card for entry 4081712

Structure parameters

• Formula: C26 H45 B N2 O3 P2 Ru
• Calculated formula: C26 H45 B N2 O3 P2 Ru
• SMILES: [RuH]12(OB3N(c4c(N3C[P]2(C(C)(C)C)C(C)(C)C)cccc4)C[P]1(C(C)(C)C)C(C)(C)C)(C#[O])C#[O]
• Title of publication: Oxygenation of a Ruthenium Complex Bearing a PBP-Pincer Ligand Inducing the Formation of a Boronato Ligand with a Weak Ru‒O Bond
• Authors of publication: Miyada, Takuma; Yamashita, Makoto
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 19
• Pages of publication: 5281
• a: 11.472 ± 0.004 Å
• b: 37.285 ± 0.014 Å
• c: 13.446 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5751 ± 4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No