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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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181866 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/96. |
2019691.cif 2019691.hkl |
| 180864 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/96. |
2019691.cif 2019691.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019691.cif 2019691.hkl |
| 128081 | 2014-12-04 | cif/ Updating files of 2019691 Original log message: Adding full bibliography for 2019691.cif. |
2019691.cif 2019691.hkl |
| 125048 | 2014-10-08 | cif/ hkl/ Adding structures of 2019691 via cif-deposit CGI script. |
2019691.cif 2019691.hkl |
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Users of the data should acknowledge the original authors of the
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