Information card for entry 1566707

Structure parameters

• Formula: C54.5 H53 B Cl P2 S
• Calculated formula: C54.5 H53 B Cl P2 S
• 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: 8.8424 ± 0.0005 Å
• b: 11.4067 ± 0.0006 Å
• c: 24.8662 ± 0.001 Å
• α: 81.957 ± 0.004°
• β: 80.897 ± 0.004°
• γ: 69.046 ± 0.005°
• Cell volume: 2303.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.179
• Residual factor for significantly intense reflections: 0.1202
• Weighted residual factors for significantly intense reflections: 0.2962
• Weighted residual factors for all reflections included in the refinement: 0.3438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No