Information card for entry 1566710

Structure parameters

• Formula: C54 H53 B Cl P2 Rh S
• Calculated formula: C54 H53 B Cl P2 Rh 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: 10.9915 ± 0.0004 Å
• b: 34.1432 ± 0.001 Å
• c: 12.5533 ± 0.0004 Å
• α: 90°
• β: 99.76 ± 0.003°
• γ: 90°
• Cell volume: 4642.9 ± 0.3 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 7
• 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: 0.1215
• Residual factor for significantly intense reflections: 0.1003
• Weighted residual factors for significantly intense reflections: 0.2126
• Weighted residual factors for all reflections included in the refinement: 0.2204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.305
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No