Information card for entry 4322713

Structure parameters

• Chemical name: beta-CuAlCl4
• Formula: Al Cl4 Cu
• Calculated formula: Al Cl4 Cu
• Title of publication: α- and β-CuAlCl4: Framework Construction Using Corner-Shared Tetrahedral Metal-Halide Building Blocks
• Authors of publication: James D. Martin; Brian R. Leafblad; Roger M. Sullivan; Paul D. Boyle
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 1341 - 1346
• a: 12.8388 ± 0.0005 Å
• b: 7.6455 ± 0.0003 Å
• c: 6.1264 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 601.36 ± 0.04 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• 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: 0.029
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for all reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.038
• Goodness-of-fit parameter for significantly intense reflections: 1.38
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No