Information card for entry 1566741

Structure parameters

• Formula: C24.5 H17 B11 Cl12.5 F2
• Calculated formula: C24.5 H17 B11 Cl12.5 F2
• Title of publication: Isolable Fluorinated Triphenymethyl Cation Salts of [HCB11Cl11]-: Demonstration of Remarkable Hydride Affinity
• Authors of publication: Gunther, S. Olivia; Lee, Chun-I; Song, Ellen; Bhuvanesh, Nattamai; Ozerov, Oleg V.
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 12.5709 ± 0.0005 Å
• b: 13.3424 ± 0.0005 Å
• c: 23.0855 ± 0.0009 Å
• α: 83.592 ± 0.002°
• β: 88.189 ± 0.002°
• γ: 73.431 ± 0.002°
• Cell volume: 3688.1 ± 0.3 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1643
• Weighted residual factors for all reflections included in the refinement: 0.1682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No