Information card for entry 4135595

Structure parameters

• Formula: C44.56 H50.56 F6 Fe N8 P
• Calculated formula: C44.559 H50.559 F6 Fe N8 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: 46.429 ± 0.002 Å
• b: 16.3087 ± 0.0007 Å
• c: 23.2775 ± 0.0013 Å
• α: 90°
• β: 93.67 ± 0.002°
• γ: 90°
• Cell volume: 17589.5 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1082
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1572
• 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: Yes
• Has Fobs: No