Information card for entry 4135594

Structure parameters

• Formula: C45 H51 F6 Fe N10 P
• Calculated formula: C45 H51 F6 Fe N10 P
• Title of publication: Ligand Tailoring Toward an Air-Stable Iron(V) Nitrido Complex.
• Authors of publication: Keilwerth, Martin; Grunwald, Liam; Mao, Weiqing; Heinemann, Frank W.; Sutter, Jörg; Bill, Eckhard; Meyer, Karsten
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2021
• Journal volume: 143
• Journal issue: 3
• Pages of publication: 1458 - 1465
• a: 12.902 ± 0.001 Å
• b: 18.4951 ± 0.0014 Å
• c: 19.1223 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4563 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No