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Information card for entry 7029476
Preview
| Coordinates | 7029476.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H42 Au2 P2 S2 |
|---|---|
| Calculated formula | C50 H42 Au2 P2 S2 |
| SMILES | S([Au][P](c1ccccc1)(c1ccccc1)c1ccccc1)Cc1ccc(cc1)c1ccc(CS[Au][P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 |
| Title of publication | Different emissive properties in dithiolate gold(i) complexes as a function of the presence of phenylene spacers. |
| Authors of publication | Monzittu, Francesco M.; Fernández-Moreira, Vanesa; Lippolis, Vito; Arca, Massimiliano; Laguna, Antonio; Gimeno, M Concepción |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 16 |
| Pages of publication | 6212 - 6220 |
| a | 14.4157 ± 0.0002 Å |
| b | 9.0211 ± 0.0001 Å |
| c | 16.5956 ± 0.0002 Å |
| α | 90° |
| β | 105.805 ± 0.001° |
| γ | 90° |
| Cell volume | 2076.59 ± 0.05 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0143 |
| Residual factor for significantly intense reflections | 0.0133 |
| Weighted residual factors for significantly intense reflections | 0.033 |
| Weighted residual factors for all reflections included in the refinement | 0.0333 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198632 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 524 files were changed. |
7029476.cif |
| 180000 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/94. |
7029476.cif |
| 108317 | 2014-03-30 | cif/ Adding structures of 7029475, 7029476, 7029477, 7029478 via cif-deposit CGI script. |
7029476.cif |
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Users of the data should acknowledge the original authors of the
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