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Information card for entry 2019691
Preview
Coordinates | 2019691.cif |
---|---|
Structure factors | 2019691.hkl |
Original IUCr paper | HTML |
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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2019691.html
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Users of the data should acknowledge the original authors of the
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