Information card for entry 7126246

Structure parameters

• Formula: C30 H19 B F20 Ge O2
• Calculated formula: C30 H19 B F20 Ge O2
• SMILES: Fc1c(c(F)c(F)c(F)c1F)[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.[OH2][Ge](CC)(CC)CC.O
• Title of publication: C-F activation reactions at germylium ions: dehydrofluorination of fluoralkanes.
• Authors of publication: Talavera, Maria; Meißner, Gisa; Rachor, Simon G.; Braun, Thomas
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 32
• Pages of publication: 4452 - 4455
• a: 14.3032 ± 0.0013 Å
• b: 17.5925 ± 0.0015 Å
• c: 24.968 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6282.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No