Information card for entry 2240644

Structure parameters

• Chemical name: 1-[2-(Diethylazaniumyl)ethyl]-3-methylimidazolium tetrachloridocuprate(II)
• Formula: C10 H21 Cl4 Cu N3
• Calculated formula: C10 H21 Cl4 Cu N3
• SMILES: [Cu](Cl)(Cl)([Cl-])[Cl-].[NH+](CC)(CCn1c[n+](C)cc1)CC
• Title of publication: Crystal structure of 1-[2-(diethylazaniumyl)ethyl]-3-methylimidazolium tetrachloridocuprate(II)
• Authors of publication: Laus, Gerhard; Kahlenberg, Volker; Schottenberger, Herwig
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 5
• Pages of publication: m110 - m111
• a: 17.0041 ± 0.0008 Å
• b: 7.1161 ± 0.0006 Å
• c: 14.4143 ± 0.0007 Å
• α: 90°
• β: 112.956 ± 0.006°
• γ: 90°
• Cell volume: 1606.04 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes