Information card for entry 4083486

Structure parameters

• Formula: C38 H49 Al Cl4 Cu N5
• Calculated formula: C38 H49 Al Cl4 Cu N5
• SMILES: [Cu]1(N(C(=CC(=[N]1c1c(Cl)cccc1Cl)C)C)c1c(Cl)cccc1Cl)[H][AlH]12[N](=C(C=C(N1CC[N]2(C)C)C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Weakly Coordinated Zinc and Aluminum σ-Complexes of Copper(I)
• Authors of publication: Nako, Adi E.; Tan, Qian Wen; White, Andrew J. P.; Crimmin, Mark R.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 11
• Pages of publication: 2685
• a: 20.1469 ± 0.0002 Å
• b: 18.18328 ± 0.00018 Å
• c: 22.0518 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8078.38 ± 0.13 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• 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: 0.0389
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No