Information card for entry 4127038

Structure parameters

• Formula: C65 H79 B Fe N4 O2
• Calculated formula: C65 H79 B Fe N4 O2
• Title of publication: Unusual Rearrangement of an N-Donor-Functionalized N-Heterocyclic Carbene Ligand on Group 8 Metals.
• Authors of publication: Liang, Qiuming; Salmon, Andrew; Kim, Patrick Jinhyung; Yan, Linfan; Song, Datong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• a: 11.1306 ± 0.0007 Å
• b: 14.172 ± 0.001 Å
• c: 18.7468 ± 0.0013 Å
• α: 76.008 ± 0.003°
• β: 77.143 ± 0.003°
• γ: 86.82 ± 0.003°
• Cell volume: 2797.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1381
• Residual factor for significantly intense reflections: 0.0898
• Weighted residual factors for significantly intense reflections: 0.2086
• Weighted residual factors for all reflections included in the refinement: 0.2648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No