Information card for entry 4134220

Structure parameters

• Formula: C108 H166 Fe2 Gd2 N8 O4
• Calculated formula: C108 H166 Fe2 Gd2 N8 O4
• 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: 14.174 ± 0.0003 Å
• b: 19.2468 ± 0.0004 Å
• c: 20.88 ± 0.0004 Å
• α: 100.408 ± 0.002°
• β: 109.137 ± 0.002°
• γ: 93.002 ± 0.002°
• Cell volume: 5254.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No