Information card for entry 4082966

Structure parameters

• Formula: C53.5 H48 B Cl2 N2 Os P3
• Calculated formula: C53.5 H48 B Cl2 N2 Os P3
• 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: 12.4233 ± 0.0001 Å
• b: 20.3953 ± 0.0002 Å
• c: 18.8159 ± 0.0002 Å
• α: 90°
• β: 92.0176 ± 0.0006°
• γ: 90°
• Cell volume: 4764.56 ± 0.08 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for all reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections included in the refinement: 0.0538
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9856
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No