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Information card for entry 4343197
Preview
| Coordinates | 4343197.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C89.5 H80 Cu4 I4 P4 |
|---|---|
| Calculated formula | C86 H76 Cu4 I4 P4 |
| SMILES | [I]12[Cu]3456([I]7[Cu]8914([I]1[Cu]4258([I]3[Cu]67914[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.Cc1ccccc1.c1cc(ccc1)C |
| Title of publication | Geometry flexibility of copper iodide clusters: variability in luminescence thermochromism. |
| Authors of publication | Benito, Quentin; Goff, Xavier F Le; Nocton, Gregory; Fargues, Alexandre; Garcia, Alain; Berhault, Aurélie; Kahlal, Samia; Saillard, Jean-Yves; Martineau, Charlotte; Trébosc, Julien; Gacoin, Thierry; Boilot, Jean-Pierre; Perruchas, Sandrine |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 9 |
| Pages of publication | 4483 - 4494 |
| a | 14.9144 ± 0.0002 Å |
| b | 12.4522 ± 0.0001 Å |
| c | 43.8122 ± 0.0004 Å |
| α | 90° |
| β | 92.55° |
| γ | 90° |
| Cell volume | 8128.62 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0469 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for significantly intense reflections | 0.1066 |
| Weighted residual factors for all reflections included in the refinement | 0.12 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.142 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
4343197.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4343197.cif |
| 137943 | 2015-06-04 | cif/ Adding structures of 4343197, 4343198, 4343199, 4343200 via cif-deposit CGI script. |
4343197.cif |
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Users of the data should acknowledge the original authors of the
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