Information card for entry 4514364

Structure parameters

• Formula: C19 H39 Fe N O2 P2
• Calculated formula: C19 H39 Fe N O2 P2
• Title of publication: Selective Iron-Catalyzed N-Formylation of Amines using Dihydrogen and Carbon Dioxide
• Authors of publication: Jayarathne, Upul; Hazari, Nilay; Bernskoetter, Wesley H.
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 1338
• a: 19.086 ± 0.004 Å
• b: 16.908 ± 0.004 Å
• c: 15.109 ± 0.003 Å
• α: 90°
• β: 113.043 ± 0.004°
• γ: 90°
• Cell volume: 4486.7 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1104
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No