Information card for entry 4134978

Structure parameters

• Formula: C31 H54 Cu N2 O3 P
• Calculated formula: C31 H54 Cu N2 O3 P
• SMILES: [Cu](OC(C)(C)C)=C1N(c2c(C(C)C)cccc2C(C)C)C=CN1P(=O)(C(C)(C)C)C(C)(C)C.O1CCCC1
• 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: 23.7593 ± 0.0003 Å
• b: 13.3807 ± 0.0002 Å
• c: 21.4965 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6834.08 ± 0.16 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.2384
• Weighted residual factors for all reflections included in the refinement: 0.2845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2656
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No