Information card for entry 4126826

Structure parameters

• Formula: C41 H69 B2 Fe N9 O6
• Calculated formula: C41 H69 B2 Fe N9 O6
• Title of publication: Hydrazine Capture and N-N Bond Cleavage at Iron Enabled by Flexible Appended Lewis Acids.
• Authors of publication: Kiernicki, John J.; Zeller, Matthias; Szymczak, Nathaniel K.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 23.0277 ± 0.001 Å
• b: 7.3247 ± 0.0004 Å
• c: 30.5183 ± 0.0017 Å
• α: 90°
• β: 97.474 ± 0.003°
• γ: 90°
• Cell volume: 5103.8 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1282
• Residual factor for significantly intense reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.2017
• Weighted residual factors for all reflections included in the refinement: 0.2187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No