Information card for entry 4110963

Structure parameters

• Formula: C Al Cl4 Cu O
• Calculated formula: C Al Cl4 Cu O
• Title of publication: Sorptive Reconstruction of CuMCl4 (M = Al and Ga) upon Small-Molecule Binding and the Competitive Binding of CO and Ethylene
• Authors of publication: Michael D. Capracotta; Roger M. Sullivan; James D. Martin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 13463 - 13473
• a: 6.8752 ± 0.0003 Å
• b: 7.0092 ± 0.0003 Å
• c: 8.7362 ± 0.0003 Å
• α: 81.798 ± 0.002°
• β: 69.646 ± 0.002°
• γ: 85.723 ± 0.002°
• Cell volume: 390.53 ± 0.03 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No