Information card for entry 2242539

Structure parameters

• Chemical name: Bis(1-ethyl-3-methylimidazolium) tetra-μ-acetato-bis[aquacopper(II)] tetra-μ-acetato-bis[acetatocuprate(II)] dihydrate
• Formula: C32 H60 Cu4 N4 O24
• Calculated formula: C32 H60 Cu4 N4 O24
• SMILES: [Cu]1234([Cu]([O]=C(O3)C)(OC(=[O]1)C)([O]=C(O4)C)(OC(=[O]2)C)[OH2])[OH2].[Cu]1234([Cu]([O]=C(O1)C)(OC(=[O]2)C)([O]=C(O4)C)(OC(=[O]3)C)OC(=O)C)OC(=O)C.O.O.n1(c[n+](cc1)C)CC.n1(c[n+](cc1)C)CC
• 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: 7.9526 ± 0.0005 Å
• b: 8.0951 ± 0.0005 Å
• c: 18.8886 ± 0.0011 Å
• α: 79.177 ± 0.0016°
• β: 78.95 ± 0.0016°
• γ: 89.932 ± 0.0015°
• Cell volume: 1171.46 ± 0.12 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.418
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes