Information card for entry 4135597

Structure parameters

• Formula: C167 H184.5 B4 F4 Fe2 N19.5 O
• Calculated formula: C167 H184.5 B4 F4 Fe2 N19.5 O
• 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: 17.57 ± 0.002 Å
• b: 18.196 ± 0.001 Å
• c: 47.439 ± 0.009 Å
• α: 90°
• β: 98.598 ± 0.01°
• γ: 90°
• Cell volume: 14996 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• 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: 0.1504
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1683
• Weighted residual factors for all reflections included in the refinement: 0.2024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No