Information card for entry 4514700

Structure parameters

• Formula: C30 H41 Fe N4 P3
• Calculated formula: C30 H41 Fe N4 P3
• Title of publication: Light Enhanced Fe-Mediated Nitrogen Fixation: Mechanistic Insights Regarding H₂ Elimination, HER, and NH₃ Generation.
• Authors of publication: Schild, Dirk J.; Peters, Jonas C.
• Journal of publication: ACS catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 5
• Pages of publication: 4286 - 4295
• a: 17.626 ± 0.002 Å
• b: 10.7764 ± 0.0008 Å
• c: 16.1774 ± 0.0019 Å
• α: 90°
• β: 98.63 ± 0.003°
• γ: 90°
• Cell volume: 3038 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 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: 0.0583
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No