Information card for entry 2242536

Structure parameters

• Chemical name: Bis(1-ethyl-3-methylimidazolium) tetra-μ-acetato-bis[chloridocuprate(II)]
• Formula: C20 H34 Cl2 Cu2 N4 O8
• Calculated formula: C20 H34 Cl2 Cu2 N4 O8
• SMILES: [Cu]1234([Cu](Cl)([O]=C(O2)C)(OC(=[O]4)C)([O]=C(O3)C)OC(=[O]1)C)Cl.n1(cc[n+](c1)CC)C.n1(cc[n+](c1)CC)C
• Title of publication: Structure of copper(II) complexes grown from ionic liquids ‒ 1-ethyl-3-methylimidazolium acetate or chloride
• Authors of publication: Serov, Nikita Yu.; Shtyrlin, Valery G.; Islamov, Daut R.; Kataeva, Olga N.; Krivolapov, Dmitry B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 7
• Pages of publication: 981 - 986
• a: 8.2264 ± 0.0014 Å
• b: 12.956 ± 0.002 Å
• c: 13.173 ± 0.002 Å
• α: 90°
• β: 96.471 ± 0.003°
• γ: 90°
• Cell volume: 1395 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes