Information card for entry 4329017

Structure parameters

• Common name: tetrakis(choline) (mu4-oxo)-hexakis(mu2-chloro)-tetrakis(chloro-copper(ii))
• Chemical name: tetrakis(choline) (mu4-oxo)-hexakis(mu2-chloro)-tetrakis(chloro-copper(ii))
• Formula: C20 H56 Cl10 Cu4 N4 O5
• Calculated formula: C20 H54 Cl10 Cu4 N4 O5
• 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: 22.4693 ± 0.0012 Å
• b: 10.2874 ± 0.0006 Å
• c: 18.5663 ± 0.0011 Å
• α: 90°
• β: 113.551 ± 0.003°
• γ: 90°
• Cell volume: 3934.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1716
• Weighted residual factors for all reflections included in the refinement: 0.1821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No