Information card for entry 4131254

Structure parameters

• Formula: C55.32 H68 B F15 Fe N2 P4
• Calculated formula: C55.323 H68 B F15 Fe N2 P4
• Title of publication: Testing the Push-Pull Hypothesis: Lewis Acid Augmented N₂ Activation at Iron.
• Authors of publication: Geri, Jacob B.; Shanahan, James P.; Szymczak, Nathaniel K.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 16
• Pages of publication: 5952 - 5956
• a: 12.6573 ± 0.0004 Å
• b: 13.9154 ± 0.0003 Å
• c: 16.418 ± 0.0003 Å
• α: 89.5764 ± 0.0014°
• β: 84.6591 ± 0.0017°
• γ: 83.2243 ± 0.0019°
• Cell volume: 2859.04 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0609
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No