Information card for entry 7042294

Structure parameters

• Formula: C35 H33 F6 N O6 P2 S2
• Calculated formula: C35 H33 F6 N O6 P2 S2
• SMILES: S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.[P+](c1ccccc1)(Cc1nc(C[P+](c2ccccc2)(c2ccccc2)C)ccc1)(c1ccccc1)C
• 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: 16.5221 ± 0.001 Å
• b: 10.1677 ± 0.0006 Å
• c: 21.9637 ± 0.0012 Å
• α: 90°
• β: 100.283 ± 0.002°
• γ: 90°
• Cell volume: 3630.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0628
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No