Information card for entry 7129397

Structure parameters

• Formula: C48 H52 B4 Li2 N2
• Calculated formula: C48 H52 B4 Li2 N2
• Title of publication: Unlocking Metal Coordination of Diborylamides through Ring Constraints
• Authors of publication: Brown, W. Kice; Klausmeyer, Kevin; Lindley, Brian M.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 16.3616 ± 0.0018 Å
• b: 17.7703 ± 0.0019 Å
• c: 16.512 ± 0.002 Å
• α: 90°
• β: 118.958 ± 0.004°
• γ: 90°
• Cell volume: 4200.6 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1721
• Weighted residual factors for all reflections included in the refinement: 0.1752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No