Information card for entry 4134218

Structure parameters

• Formula: C43 H59 Fe N4 O2 Y
• Calculated formula: C43 H59 Fe N4 O2 Y
• Title of publication: Coupling of Nitric Oxide and Release of Nitrous Oxide from Rare-Earth-Dinitrosyliron Complexes.
• Authors of publication: Bar, Arun K.; Heras Ojea, María José; Tang, Jinkui; Layfield, Richard A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 8.6617 ± 0.0001 Å
• b: 21.2088 ± 0.0001 Å
• c: 22.7976 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4188.02 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0269
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No