Information card for entry 4133701

Structure parameters

• Formula: C49.46 H62.18 B2 F8 Fe N10.73
• Calculated formula: C49.456 H62.184 B2 F8 Fe N10.728
• 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: 19.2667 ± 0.0009 Å
• b: 11.2967 ± 0.0006 Å
• c: 24.8121 ± 0.0012 Å
• α: 90°
• β: 105.217 ± 0.003°
• γ: 90°
• Cell volume: 5211 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1335
• 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