Information card for entry 7042293

Structure parameters

• Formula: C31 H27 F4 N P2
• Calculated formula: C31 H27 F4 N P2
• SMILES: C(P(F)(F)(c1ccccc1)c1ccccc1)c1nc(CP(F)(F)(c2ccccc2)c2ccccc2)ccc1
• Title of publication: Metal-free pincer ligand chemistry polycationic phosphonium Lewis acids.
• Authors of publication: Szkop, Kevin M.; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 12
• Pages of publication: 3921 - 3928
• a: 8.716 ± 0.002 Å
• b: 23.262 ± 0.006 Å
• c: 6.4438 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1306.5 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No