Information card for entry 4134217

Structure parameters

• Formula: C23 H29 Fe N4 O2
• Calculated formula: C23 H29 Fe N4 O2
• SMILES: [Fe]1(N(c2c(cc(cc2C)C)C)C(=CC(=[N]1c1c(cc(cc1C)C)C)C)C)(N=O)N=O
• 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: 25.4275 ± 0.0018 Å
• b: 20.3332 ± 0.0004 Å
• c: 15.0048 ± 0.0011 Å
• α: 90°
• β: 142.261 ± 0.015°
• γ: 90°
• Cell volume: 4748.3 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No