Information card for entry 4082967

Structure parameters

• Formula: C52 H50 B Cl N4 P2 Ru
• Calculated formula: C52 H50 B Cl N4 P2 Ru
• SMILES: C1[P](c2ccccc2)(c2ccccc2)[Ru]2(C#[N]c3c(cc(cc3C)C)C)(C#[N]c3c(cc(cc3C)C)C)(Cl)[P](CN3B2N1c1c3cccc1)(c1ccccc1)c1ccccc1
• Title of publication: Arrested B‒H Activation en Route to Installation of a PBP Pincer Ligand on Ruthenium and Osmium
• Authors of publication: Hill, Anthony F.; McQueen, Caitlin M. A.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 8
• Pages of publication: 1977
• a: 11.2613 ± 0.0004 Å
• b: 11.7881 ± 0.0004 Å
• c: 20.518 ± 0.0008 Å
• α: 100.145 ± 0.0016°
• β: 95.749 ± 0.002°
• γ: 118.133 ± 0.0017°
• Cell volume: 2311.12 ± 0.15 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1882
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections: 0.1269
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No