Information card for entry 2019691

Structure parameters

• Common name: 1-ethyl-3-methylimidazolium heptabromidopentacupprate(I)
• Chemical name: <i>catena</i>-Poly[bis(1-ethyl-3-methylimidazolium) [μ~5~-bromido-tri-μ~3~-bromido-tri-μ~2~-bromido-pentacuprate(I)]]
• Formula: C12 H22 Br7 Cu5 N4
• Calculated formula: C12 H22 Br7 Cu5 N4
• SMILES: [Cu]1234[Br][Cu]2567[Br]1[Cu]31([Br]4)([Br][Cu]12[Br][Cu]51[Br]6)[Br]7[Cu]3456[Br]1[Cu]1578[Br]6[Cu]35([Br]42)([Br][Cu]5[Br][Cu]1[Br]8)[Br]7.n1(c[n+](cc1)CC)C.n1(c[n+](cc1)CC)C.n1(c[n+](cc1)CC)C.n1(c[n+](cc1)CC)C
• Title of publication: Ionothermal synthesis and crystal structure of a new organic‒inorganic hybrid compound: <i>catena</i>-poly[bis(1-ethyl-3-methylimidazolium) [hepta-μ-bromido-pentacuprate(I)]]
• Authors of publication: Karanović, Ljiljana; Poleti, Dejan; Dordević, Tamara
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: 1021 - 1024
• a: 12.736 ± 0.003 Å
• b: 20.481 ± 0.004 Å
• c: 10.038 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2618.4 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0555
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes