Information card for entry 7124193

Structure parameters

• Formula: C53 H84 B2 Cl4 Fe2 N6
• Calculated formula: C53 H84 B2 Cl4 Fe2 N6
• 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: 15.5954 ± 0.0004 Å
• b: 11.5756 ± 0.0003 Å
• c: 16.2879 ± 0.0004 Å
• α: 90°
• β: 91.1056 ± 0.0012°
• γ: 90°
• Cell volume: 2939.84 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No