Information card for entry 7124186

Structure parameters

• Formula: C17 H25 Br2 Fe N3
• Calculated formula: C17 H25 Br2 Fe N3
• Title of publication: Tetrahedral iron featuring an appended Lewis acid: distinct pathways for the reduction of hydroxylamine and hydrazine
• Authors of publication: Kiernicki, John J.; Norwine, Emily E.; Zeller, Matthias; Szymczak, Nathaniel K.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 12.9565 ± 0.0006 Å
• b: 11.57 ± 0.0005 Å
• c: 14.3493 ± 0.0006 Å
• α: 90°
• β: 103.93 ± 0.0017°
• γ: 90°
• Cell volume: 2087.79 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No