Information card for entry 7710044

Structure parameters

• Formula: C50 H77 F12 N7 O12 S4 Si6
• Calculated formula: C50 H77 F12 N7 O12 S4 Si6
• Title of publication: Host guest chemistry of a bidentate silyl-triflate bis-Lewis-acid – complex complexation behaviour unravelled by diffusion NMR spectroscopy
• Authors of publication: Schäfer, Fabian; Mix, Andreas; Cati, Ninive; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 12.5131 ± 0.0007 Å
• b: 13.0673 ± 0.0006 Å
• c: 13.5178 ± 0.0006 Å
• α: 115.737 ± 0.004°
• β: 101.219 ± 0.004°
• γ: 107.63 ± 0.004°
• Cell volume: 1755.3 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0792
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1638
• Weighted residual factors for all reflections included in the refinement: 0.1768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No