Information card for entry 7129396

Structure parameters

• Formula: C66 H74 B4 Fe2 N2
• Calculated formula: C66 H74 B4 Fe2 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: 12.0221 ± 0.0012 Å
• b: 30.358 ± 0.003 Å
• c: 32.27 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11777 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No