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Information card for entry 4001266
Preview
| Coordinates | 4001266.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H68 Cu4 I4 P4 |
|---|---|
| Calculated formula | C54 H64 Cu4 I4 P4 |
| SMILES | CCC[P]([Cu]12[I]3[Cu]4([I]2[Cu]2([I]1[Cu]3([I]24)[P](c1ccccc1)(c1ccccc1)CCC)[P](c1ccccc1)(c1ccccc1)CCC)[P](c1ccccc1)(c1ccccc1)CCC)(c1ccccc1)c1ccccc1 |
| Title of publication | Thermochromic Luminescence of Sol−Gel Films Based on Copper Iodide Clusters |
| Authors of publication | Tard, Cédric; Perruchas, Sandrine; Maron, Sébastien; Le Goff, Xavier F.; Guillen, François; Garcia, Alain; Vigneron, Jacky; Etcheberry, Arnaud; Gacoin, Thierry; Boilot, Jean-Pierre |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2008 |
| Journal volume | 20 |
| Journal issue | 22 |
| Pages of publication | 7010 |
| a | 15.951 ± 0.001 Å |
| b | 15.951 ± 0.001 Å |
| c | 12.006 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3054.7 ± 0.4 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 121 |
| Hermann-Mauguin space group symbol | I -4 2 m |
| Hall space group symbol | I -4 2 |
| Residual factor for all reflections | 0.0861 |
| Residual factor for significantly intense reflections | 0.0731 |
| Weighted residual factors for significantly intense reflections | 0.1953 |
| Weighted residual factors for all reflections included in the refinement | 0.2144 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178377 (current) | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4001266.cif |
| 170537 | 2015-11-25 | cif/4 Fixing Z and Z' values and formulae |
4001266.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4001266.cif |
| 41953 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4001266 via cif-deposit CGI script. |
4001266.cif |
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Users of the data should acknowledge the original authors of the
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