Information card for entry 4126828

Structure parameters

• Formula: C41.89 H72.77 B2 Cl3.77 Fe N9
• Calculated formula: C41.885 H72.77 B2 Cl3.77 Fe N9
• 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: 15.8817 ± 0.0007 Å
• b: 16.285 ± 0.0007 Å
• c: 20.1341 ± 0.0009 Å
• α: 68.602 ± 0.002°
• β: 76.235 ± 0.003°
• γ: 84.515 ± 0.002°
• Cell volume: 4708.9 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0949
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.2276
• Weighted residual factors for all reflections included in the refinement: 0.2384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No