Information card for entry 4133704

Structure parameters

• Formula: C42 H51 B F4 Fe N8 O
• Calculated formula: C42 H51 B F4 Fe N8 O
• Title of publication: A Series of Iron Nitrosyl Complexes {Fe-NO}^6-9 and a Fleeting {Fe-NO}¹⁰ Intermediate en Route to a Metalacyclic Iron Nitrosoalkane.
• Authors of publication: Keilwerth, Martin; Hohenberger, Johannes; Heinemann, Frank W.; Sutter, Jörg; Scheurer, Andreas; Fang, Huayi; Bill, Eckhard; Neese, Frank; Ye, Shengfa; Meyer, Karsten
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 43
• Pages of publication: 17217 - 17235
• a: 19.1778 ± 0.0012 Å
• b: 19.1778 ± 0.0012 Å
• c: 9.8155 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3126.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 143
• Hermann-Mauguin space group symbol: P 3
• Hall space group symbol: P 3
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No