Information card for entry 4134221

Structure parameters

• Formula: C43 H59 Fe Gd N4 O2
• Calculated formula: C43 H59 Fe Gd N4 O2
• 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: 8.6849 ± 0.0002 Å
• b: 21.2561 ± 0.0003 Å
• c: 22.8285 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4214.3 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0427
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No