Information card for entry 4083487

Structure parameters

• Formula: C46 H55 Cl4 Cu N4 Zn
• Calculated formula: C46 H55 Cl4 Cu N4 Zn
• SMILES: [Zn]1([H][Cu]2N(C(=CC(=[N]2c2c(Cl)cccc2Cl)C)C)c2c(Cl)cccc2Cl)N(C(=CC(=[N]1c1c(cccc1C(C)C)C(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: 12.7453 ± 0.0004 Å
• b: 12.7844 ± 0.0004 Å
• c: 14.8223 ± 0.0005 Å
• α: 100.891 ± 0.003°
• β: 97.037 ± 0.003°
• γ: 101.712 ± 0.003°
• Cell volume: 2289.55 ± 0.14 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No