Information card for entry 7709485

Structure parameters

• Formula: C57 H72 B F40 P2 Rh S8
• Calculated formula: C57 H72 B F40 P2 Rh S8
• Title of publication: MicroED characterization of a robust cationic σ-alkane complex stabilized by the [B(3,5-(SF5)2C6H3)4]− anion, via on-grid solid/gas single-crystal to single-crystal reactivity
• Authors of publication: Doyle, Laurence R.; Thompson, Emily A.; Burnage, Arron L.; Whitwood, Adrian C.; Jenkins, Huw T.; Macgregor, Stuart A.; Weller, Andrew S.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 19.4479 ± 0.0009 Å
• b: 19.0194 ± 0.001 Å
• c: 20.1725 ± 0.0007 Å
• α: 90°
• β: 91.572 ± 0.004°
• γ: 90°
• Cell volume: 7458.7 ± 0.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 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: 0.1385
• Residual factor for significantly intense reflections: 0.0865
• Weighted residual factors for significantly intense reflections: 0.2273
• Weighted residual factors for all reflections included in the refinement: 0.2587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No