Information card for entry 4134974

Structure parameters

• Formula: C45 H48 Al Cu F15 N2 O2 P
• Calculated formula: C45 H48 Al Cu F15 N2 O2 P
• SMILES: [Cu](c1c(F)c(F)c(F)c(F)c1F)=C1N(P(=[O][Al](OC(C)(C)C)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)(C(C)(C)C)C(C)(C)C)CCN1c1c(C(C)C)cccc1C(C)C
• 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: 10.7379 ± 0.0001 Å
• b: 13.4792 ± 0.0002 Å
• c: 21.5394 ± 0.0002 Å
• α: 102.294 ± 0.001°
• β: 98.951 ± 0.001°
• γ: 108.873 ± 0.001°
• Cell volume: 2796.08 ± 0.06 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0271
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No