Information card for entry 4131993

Structure parameters

• Common name: (OEP)Fe(m-OH)B(C6F5)3
• Formula: C54 H45 B F15 Fe N4 O
• Calculated formula: C54 H45 B F15 Fe N4 O
• Title of publication: Lewis Acid Activation of the Ferrous Heme-NO Fragment toward the N-N Coupling Reaction with NO To Generate N₂O.
• Authors of publication: Abucayon, Erwin G.; Khade, Rahul L.; Powell, Douglas R.; Zhang, Yong; Richter-Addo, George B
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 12
• Pages of publication: 4204 - 4207
• a: 13.052 ± 0.003 Å
• b: 15.755 ± 0.003 Å
• c: 24.071 ± 0.004 Å
• α: 90.625 ± 0.003°
• β: 91.925 ± 0.003°
• γ: 91.633 ± 0.003°
• Cell volume: 4944.7 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.059
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No