Information card for entry 2003924

Structure parameters

• Chemical name: copper(II) tetrachloroaluminium
• Formula: Al2 Cl8 Cu
• Calculated formula: Al2 Cl8 Cu
• SMILES: [Cu]12([Cl][Al]([Cl]1)(Cl)Cl)[Cl][Al]([Cl]2)(Cl)Cl
• Title of publication: Re-Examination Shows that Copper(II) Tetrachloroaluminium, Cu(AlCl~4~)~2~, is Monoclinic and not Triclinic as Originally Stated
• Authors of publication: Herbstein, F. H.; Kapon, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 9
• Pages of publication: 1739 - 1741
• a: 6.582 ± 0.006 Å
• b: 7.362 ± 0.005 Å
• c: 12.265 ± 0.005 Å
• α: 90°
• β: 94.03 ± 0.06°
• γ: 90°
• Cell volume: 592.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections: 0.2396
• Goodness-of-fit parameter for all reflections: 0.476
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No