Information card for entry 1572400

Structure parameters

• Common name: asymmetrically halogenated triaryl borane structure hydridecomplex
• Chemical name: (2-chloro-6-fluorophenyl)bis(2,6-dichlorophenyl)(hydroxy)borate + piperidin-1-ium, +2 piperidine
• Formula: C29 H31 B Cl5 F N2.2 O
• Calculated formula: C29 H31 B Cl5 F N2.2 O
• Title of publication: Illuminating the multiple Lewis acidity of triaryl-boranes <i>via</i> atropisomeric dative adducts.
• Authors of publication: Kovács, Benjámin; Földes, Tamás; Szabó, Márk; Dorkó, Éva; Kótai, Bianka; Laczkó, Gergely; Holczbauer, Tamás; Domján, Attila; Pápai, Imre; Soós, Tibor
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 38
• Pages of publication: 15679 - 15689
• a: 10.208 ± 0.002 Å
• b: 17.008 ± 0.003 Å
• c: 20.085 ± 0.004 Å
• α: 90°
• β: 91.581 ± 0.006°
• γ: 90°
• Cell volume: 3485.8 ± 1.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1705
• Residual factor for significantly intense reflections: 0.1116
• Weighted residual factors for significantly intense reflections: 0.2789
• Weighted residual factors for all reflections included in the refinement: 0.3163
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No