Information card for entry 7709484

Structure parameters

• Formula: C57 H68 B F40 P2 Rh S8
• Calculated formula: C57 H68 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: 19.5793 ± 0.0009 Å
• b: 18.3333 ± 0.0006 Å
• c: 20.4528 ± 0.0007 Å
• α: 90°
• β: 92.46 ± 0.004°
• γ: 90°
• Cell volume: 7334.8 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1024
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1627
• Weighted residual factors for all reflections included in the refinement: 0.1834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No