Information card for entry 7129858

Structure parameters

• Common name: 1-azido-2,3,4,5-tetraphenylborole tricyclohexylphosphine addduct
• Formula: C46 H53 B Cl0.07 N2.79 P
• Calculated formula: C46 H53 B Cl0.072 N2.784 P
• Title of publication: Azidoborolate anions and azidoborole adducts: isolable forms of an unstable borole azide
• Authors of publication: Lindl, Felix Dr.; Fantuzzi, Felipe; Mailänder, Lisa; Hörl, Christian; Bélanger-Chabot, Guillaume; Braunschweig, Holger
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 13.0517 ± 0.0001 Å
• b: 16.9298 ± 0.0002 Å
• c: 17.5029 ± 0.0002 Å
• α: 90°
• β: 95.675 ± 0.001°
• γ: 90°
• Cell volume: 3848.53 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No