Information card for entry 4134982

Structure parameters

• Formula: C50 H41 Al Cu F15 N2 O
• Calculated formula: C50 H41 Al Cu F15 N2 O
• Title of publication: Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.
• Authors of publication: Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 21
• Pages of publication: 9772 - 9784
• a: 13.1271 ± 0.0013 Å
• b: 29.4891 ± 0.0016 Å
• c: 13.6529 ± 0.0012 Å
• α: 90°
• β: 115.889 ± 0.011°
• γ: 90°
• Cell volume: 4754.7 ± 0.8 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1029
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.1737
• Weighted residual factors for all reflections included in the refinement: 0.1888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No