Information card for entry 7712425

Structure parameters

• Chemical name: (CAAI)2BPh
• Formula: C49.5 H71 B N4
• Calculated formula: C49.5 H71 B N4
• Title of publication: Cyclic Alkyl(amino)iminates (CAAIs) as Strong 2σ,4π-Electron Donor Ligands for the Stabilisation of Boranes and Diboranes(4): A Synthetic and Computational Study
• Authors of publication: Huynh, Silvia; Arrowsmith, Merle; Meier, Lukas; Dietz, Maximilian; Härterich, Marcel; Michel, Maximilian; Gärtner, Annalena; Braunschweig, Holger
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 9.261 ± 0.015 Å
• b: 11.923 ± 0.019 Å
• c: 20.48 ± 0.03 Å
• α: 91.46 ± 0.03°
• β: 91.08 ± 0.05°
• γ: 96.36 ± 0.03°
• Cell volume: 2246 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0978
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No