Information card for entry 7703323

Structure parameters

• Chemical name: (DIM)Fe(NO)2
• Formula: C22 H28 Fe N4 O2
• Calculated formula: C22 H28 Fe N4 O2
• Title of publication: A reagent for heteroatom borylation, including iron mediated reductive deoxygenation of nitrate yielding a dinitrosyl complex.
• Authors of publication: Beagan, Daniel M.; Carta, Veronica; Caulton, Kenneth G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 5
• Pages of publication: 1681 - 1687
• a: 17.552 ± 0.0015 Å
• b: 14.0826 ± 0.0009 Å
• c: 18.308 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4525.3 ± 0.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0986
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No