Information card for entry 4329015

Structure parameters

• Common name: choline copper trichloride
• Chemical name: choline copper trichloride
• Formula: C5 H14 Cl3 Cu N O
• Calculated formula: C5 H14 Cl3 Cu N O
• Title of publication: Speciation of Copper(II) Complexes in an Ionic Liquid Based on Choline Chloride and in Choline Chloride/Water Mixtures
• Authors of publication: Peter De Vreese; Neil R. Brooks; Kristof Van Hecke; Luc Van Meervelt; Edward Matthijs; Koen Binnemans; Rik Van Deun
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4972 - 4981
• a: 7.9847 ± 0.0004 Å
• b: 7.823 ± 0.0004 Å
• c: 16.5567 ± 0.0007 Å
• α: 90°
• β: 90.829 ± 0.003°
• γ: 90°
• Cell volume: 1034.09 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No