Information card for entry 7133209

Structure parameters

• Common name: 9-phosphatriptycene-N-phenyl imine trifluoroborane complex dichloromethane semisolvate
• Chemical name: N-phenyl-5gamma^5^-5,10-[1,2]benzenoacridophosphin-5(10H)-imine trifluoroborane complex dichloromethane semisolvate
• Formula: C25.5 H19 B Cl F3 N P
• Calculated formula: C25.5 H19 B Cl F3 N P
• Title of publication: Regulating iminophosphorane PN bond reactivity through geometric constraints with cage-shaped triarylphosphines.
• Authors of publication: Hu, Lei; Chakraborty, Sayandip; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• a: 9.5904 ± 0.0002 Å
• b: 16.0488 ± 0.0003 Å
• c: 14.2154 ± 0.0003 Å
• α: 90°
• β: 101.406 ± 0.001°
• γ: 90°
• Cell volume: 2144.74 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0459
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No