Information card for entry 4135596

Structure parameters

• Formula: C39 H45 F12 Fe N8 P2
• Calculated formula: C39 H45 F12 Fe N8 P2
• 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: 17.0881 ± 0.0011 Å
• b: 16.569 ± 0.0011 Å
• c: 15.2548 ± 0.001 Å
• α: 90°
• β: 94.725 ± 0.003°
• γ: 90°
• Cell volume: 4304.5 ± 0.5 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: 0.0378
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No