Information card for entry 7124189

Structure parameters

• Formula: C24 H38 B Br Fe N4
• Calculated formula: C24 H38 B Br Fe N4
• 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: 21.6707 ± 0.0004 Å
• b: 13.3677 ± 0.0002 Å
• c: 18.9165 ± 0.0003 Å
• α: 90°
• β: 107.265 ± 0.0008°
• γ: 90°
• Cell volume: 5232.95 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No