Information card for entry 4083770

Structure parameters

• Formula: C16 H6 B F14 K
• Calculated formula: C16 H6 B F14 K
• Title of publication: Facile Synthesis of (3,5-(CF3)2C6H3)2BX (X = H, OMe, F, Cl, Br): Reagents for the Introduction of a Strong Boryl Acceptor Unit
• Authors of publication: Samigullin, Kamil; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
• Journal of publication: Organometallics
• Year of publication: 2014
• Pages of publication: 140626134355006
• a: 8.6049 ± 0.0009 Å
• b: 9.6414 ± 0.0007 Å
• c: 21.555 ± 0.002 Å
• α: 90°
• β: 96.759 ± 0.008°
• γ: 90°
• Cell volume: 1775.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No