Information card for entry 4134976

Structure parameters

• Formula: C48 H45 Al F15 N2 O P
• Calculated formula: C48 H45 Al F15 N2 O P
• SMILES: P(=[O][Al](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)(N1[C]N(c2c(cccc2C(C)C)C(C)C)C=C1)(C(C)(C)C)C(C)(C)C.c1c(C)cccc1
• 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: 10.6515 ± 0.0003 Å
• b: 12.2115 ± 0.0003 Å
• c: 18.7731 ± 0.0005 Å
• α: 77.285 ± 0.002°
• β: 87.441 ± 0.002°
• γ: 77.196 ± 0.002°
• Cell volume: 2322.7 ± 0.11 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0251
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No