Information card for entry 4134984

Structure parameters

• Formula: C46 H62 Al Br7 Cu4 N4 O2 P2
• Calculated formula: C46 H62 Al Br7 Cu4 N4 O2 P2
• SMILES: [Br]1[Cu]2345[Br][Cu]6783[Br][Cu]358([Br][Cu]1473[Br]6)[Br]2.Br[Al]12([O]=P(N3C=CN(C=23)c2ccccc2)(C(C)(C)C)C(C)(C)C)[O]=P(N2C=CN(C=12)c1ccccc1)(C(C)(C)C)C(C)(C)C.c1ccccc1.c1ccccc1
• 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: 12.6447 ± 0.0001 Å
• b: 17.084 ± 0.0001 Å
• c: 13.2667 ± 0.0001 Å
• α: 90°
• β: 91.894 ± 0.001°
• γ: 90°
• Cell volume: 2864.33 ± 0.04 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.024
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0429
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No