Information card for entry 4514703

Structure parameters

• Chemical name: P2PFeanion
• Formula: C40 H61 Fe K N2 O4 P3
• Calculated formula: C40 H61 Fe K N2 O4 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: 25.9569 ± 0.0013 Å
• b: 17.0296 ± 0.0009 Å
• c: 12.1851 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5386.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1162
• Residual factor for significantly intense reflections: 0.1026
• Weighted residual factors for significantly intense reflections: 0.3059
• Weighted residual factors for all reflections included in the refinement: 0.3201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No