Information card for entry 1576631

Structure parameters

• Formula: C62 H98 B2 N4
• Calculated formula: C62 H98 B2 N4
• Title of publication: N–H / P–H bond activation of ammonia, amines and phosphines at a transient borylene
• Authors of publication: Weber, Marco; Kar, Sourav; Joos, Pia; Dewhurst, Rian David; Braunschweig, Holger
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 9.1872 ± 0.0001 Å
• b: 38.0186 ± 0.0003 Å
• c: 16.4133 ± 0.0001 Å
• α: 90°
• β: 96.373 ± 0.001°
• γ: 90°
• Cell volume: 5697.48 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0493
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No