Information card for entry 7124188

Structure parameters

• Formula: C54 H88 B2 Br4 Cl6 N8 O Zn2
• Calculated formula: C54.002 H88.004 B2 Br4 Cl6.002 N8 O 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: 12.6626 ± 0.001 Å
• b: 25.463 ± 0.003 Å
• c: 21.457 ± 0.003 Å
• α: 90°
• β: 102.524 ± 0.004°
• γ: 90°
• Cell volume: 6753.7 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.115
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.1862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No