Information card for entry 1566622

Structure parameters

• Formula: C15 H16 B F3 K O0.5 P
• Calculated formula: C15.004 H16.004 B F3 K O0.5 P
• Title of publication: Electrostatic vs. Inductive Effects in Phosphine Ligand Donor Properties and Reactivity
• Authors of publication: Kelty, Margaret L.; McNeece, Andrew J.; Kurutz, Josh W.; Filatov, Alexander S.; Anderson, John S.
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 5.6907 ± 0.0004 Å
• b: 21.5917 ± 0.0016 Å
• c: 26.847 ± 0.002 Å
• α: 78.455 ± 0.002°
• β: 89.976 ± 0.002°
• γ: 89.948 ± 0.002°
• Cell volume: 3232 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0748
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No