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Information card for entry 7208182
Preview
| Coordinates | 7208182.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H80 Cu6 I8 Mo2 N8 O4 S6 |
|---|---|
| Calculated formula | C72 H80 Cu6 I8 Mo2 N8 O4 S6 |
| SMILES | c1cc2c(cc[n+](c2)CCCC[n+]2cc3c(cc2)cccc3)cc1.I[Cu]123[I]4[Cu]56([S]2[Mo]2736([S]1[Cu]47(I)[S]52)=O)I.[n+]1(ccc2ccccc2c1)CCCC[n+]1ccc2ccccc2c1.N(C)(C)C=O.c1cccc2c1cc[n+](c2)CCCC[n+]1cc2c(cc1)cccc2.I[Cu]123[I]4[Cu]56(I)[S]2[Mo]2736(=O)[S]1[Cu]47(I)[S]52.N(C)(C)C=O |
| Title of publication | The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers |
| Authors of publication | Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 15 |
| Pages of publication | 4927 |
| a | 11.1577 ± 0.0017 Å |
| b | 13.17 ± 0.002 Å |
| c | 17.106 ± 0.003 Å |
| α | 70.799 ± 0.003° |
| β | 77.497 ± 0.003° |
| γ | 72.017 ± 0.003° |
| Cell volume | 2239.3 ± 0.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298.15 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0981 |
| Residual factor for significantly intense reflections | 0.0784 |
| Weighted residual factors for significantly intense reflections | 0.1935 |
| Weighted residual factors for all reflections included in the refinement | 0.2053 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MOKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180412 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/81. |
7208182.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7208182.cif |
| 64213 | 2012-08-11 | cif/ Adding structures of 7208174, 7208175, 7208176, 7208177, 7208178, 7208179, 7208180, 7208181, 7208182, 7208183 via cif-deposit CGI script. |
7208182.cif |
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