Information card for entry 4514363

Structure parameters

• Formula: C23 H47 Fe N2 O3 P2
• Calculated formula: C23 H47 Fe N2 O3 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: 16.336 ± 0.0013 Å
• b: 12.2113 ± 0.001 Å
• c: 27.367 ± 0.002 Å
• α: 90°
• β: 91.146 ± 0.001°
• γ: 90°
• Cell volume: 5458.2 ± 0.7 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: 0.0634
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No