Information card for entry 4329016

Structure parameters

• Common name: tris(choline) copper tetracholride chloride
• Chemical name: tris(choline) copper tetracholride chloride
• Formula: C15 H42 Cl5 Cu N3 O3
• Calculated formula: C10 H28 Cl5 Cu N2 O2
• 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: 11.5544 ± 0.0008 Å
• b: 18.0697 ± 0.0008 Å
• c: 12.2968 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2567.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No