Information card for entry 7124194

Structure parameters

• Formula: C48.37 H76.75 B2 Br4 Cl0.75 N8 Zn2
• Calculated formula: C48.374 H76.748 B2 Br4 Cl0.748 N8 Zn2
• 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: 14.0158 ± 0.0005 Å
• b: 14.8791 ± 0.0006 Å
• c: 15.8974 ± 0.0006 Å
• α: 70.5598 ± 0.0017°
• β: 69.5099 ± 0.0018°
• γ: 65.6987 ± 0.0017°
• Cell volume: 2760.31 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.176
• Weighted residual factors for all reflections included in the refinement: 0.1907
• 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: Yes
• Has Fobs: No