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Information card for entry 7206137
Preview
| Coordinates | 7206137.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H20 I8 N2 |
|---|---|
| Calculated formula | C24 H20 I8 N2 |
| SMILES | c1c(I)ccc(C[n+]2ccc(c3cc[n+](cc3)Cc3ccc(I)cc3)cc2)c1.I[I-]I.I[I-]I |
| Title of publication | Dimensional caging of polyiodides: cation-templated synthesis using bipyridinium salts |
| Authors of publication | García, Marcos D.; Martí-Rujas, Javier; Metrangolo, Pierangelo; Peinador, Carlos; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 13 |
| Pages of publication | 4411 |
| a | 7.0768 ± 0.0006 Å |
| b | 8.1099 ± 0.0006 Å |
| c | 15.1128 ± 0.0012 Å |
| α | 76.138 ± 0.011° |
| β | 82.477 ± 0.01° |
| γ | 70.923 ± 0.01° |
| Cell volume | 794.54 ± 0.12 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0327 |
| Residual factor for significantly intense reflections | 0.0241 |
| Weighted residual factors for significantly intense reflections | 0.0658 |
| Weighted residual factors for all reflections included in the refinement | 0.0822 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.14 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180392 (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 7/20/61. |
7206137.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206137.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206137.cif |
| 23526 | 2011-08-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7206137, 7206138, 7206139, 7206140, 7206141, 7206142, 7206143, 7206144 via cif-deposit CGI script. |
7206137.cif |
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Users of the data should acknowledge the original authors of the
structural data.