Information card for entry 7116375

Structure parameters

• Common name: (9-BBN)CH2N(9-BBN)ArDipp2
• Formula: C52 H79 B2 N
• Calculated formula: C52 H79 B2 N
• Title of publication: Frustrated Lewis pair behavior of monomeric (boryl)iminomethanes accessed from isocyanide 1,1-hydroboration
• Authors of publication: Brandon R. Barnett; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figuero
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 541
• a: 20.9432 ± 0.0009 Å
• b: 12.5599 ± 0.0006 Å
• c: 17.1099 ± 0.0008 Å
• α: 90°
• β: 91.099 ± 0.002°
• γ: 90°
• Cell volume: 4499.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0793
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No