Information card for entry 7129859

Structure parameters

• Common name: (3,4,5,6-tetraphenyl-1,2-azaborine)3
• Formula: C86 H64 B3 Cl4 N3
• Calculated formula: C86 H64 B3 Cl4 N3
• 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: 29.7421 ± 0.0011 Å
• b: 15.8764 ± 0.0007 Å
• c: 16.4574 ± 0.0007 Å
• α: 90°
• β: 118.285 ± 0.001°
• γ: 90°
• Cell volume: 6843.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.121
• Residual factor for significantly intense reflections: 0.094
• Weighted residual factors for significantly intense reflections: 0.2126
• Weighted residual factors for all reflections included in the refinement: 0.2331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No