Information card for entry 7129394

Structure parameters

• Formula: C48 H52 B4 Fe N2
• Calculated formula: C48 H52 B4 Fe 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: 19.0371 ± 0.0005 Å
• b: 12.9687 ± 0.0003 Å
• c: 34.8721 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8609.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No