Information card for entry 4133702

Structure parameters

• Formula: C48 H60 B3 F12 Fe N11 O
• Calculated formula: C48.002 H60.003 B3 F12.009 Fe N11.001 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: 23.4382 ± 0.0016 Å
• b: 12.0678 ± 0.0008 Å
• c: 19.8297 ± 0.0013 Å
• α: 90°
• β: 105.17 ± 0.001°
• γ: 90°
• Cell volume: 5413.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0792
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1467
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No