Information card for entry 1566712

Structure parameters

• Formula: C43 H32 F4 O3 P2 S2
• Calculated formula: C43 H32 F4 O3 P2 S2
• Title of publication: Sulfonium cations as versatile strongly π-acidic ligands
• Authors of publication: Li, Ruiping; Barel, Nitsan; Subramaniyan, Vasudevan; Cohen, Orit; Tibika, Françoise; Tulchinsky, Yuri
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 12.4956 ± 0.0002 Å
• b: 28.031 ± 0.0004 Å
• c: 12.6611 ± 0.0002 Å
• α: 90°
• β: 119.324 ± 0.002°
• γ: 90°
• Cell volume: 3866.48 ± 0.13 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1156
• Residual factor for significantly intense reflections: 0.1103
• Weighted residual factors for significantly intense reflections: 0.3948
• Weighted residual factors for all reflections included in the refinement: 0.4059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No