Information card for entry 7712427

Structure parameters

• Chemical name: (CAAI)B(NMe2)BClNMe2
• Formula: C48 H86 B4 Cl2 N8
• Calculated formula: C48 H86 B4 Cl2 N8
• 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: 10.834 ± 0.003 Å
• b: 16.64 ± 0.005 Å
• c: 16.947 ± 0.006 Å
• α: 65.006 ± 0.008°
• β: 89.81 ± 0.008°
• γ: 78.779 ± 0.012°
• Cell volume: 2705.4 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No