Information card for entry 4134981

Structure parameters

• Formula: C68 H83 Al Cu F15 N4 O3 P2
• Calculated formula: C68 H83 Al Cu F15 N4 O3 P2
• SMILES: [Cu]1([O]=P(N2C=1N(C=C2)c1c(C(C)C)cccc1C(C)C)(C(C)(C)C)C(C)(C)C)=C1N(c2c(cccc2C(C)C)C(C)C)C=CN1P(=O)(C(C)(C)C)C(C)(C)C.[Al](OC(C)(C)C)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• 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: 19.1617 ± 0.0002 Å
• b: 19.1616 ± 0.0002 Å
• c: 38.3323 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14074.4 ± 0.3 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0415
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No