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Information card for entry 4340714
Preview
| Coordinates | 4340714.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H30 Au N3 O2 S8 |
|---|---|
| Calculated formula | C18 H30 Au N3 O2 S8 |
| SMILES | [Au]12(SC3SC(=S)N(C=3S2)CCO)SC2=C(S1)SC(=S)N2CCO.[N+](CC)(CC)(CC)CC |
| Title of publication | Hydrogen-bonding interactions in a single-component molecular conductor: a hydroxyethyl-substituted radical gold dithiolene complex. |
| Authors of publication | Le Gal, Yann; Roisnel, Thierry; Auban-Senzier, Pascale; Guizouarn, Thierry; Lorcy, Dominique |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 16 |
| Pages of publication | 8755 - 8761 |
| a | 8.3506 ± 0.0003 Å |
| b | 11.922 ± 0.0006 Å |
| c | 15.0121 ± 0.0007 Å |
| α | 103.813 ± 0.002° |
| β | 103.408 ± 0.002° |
| γ | 103.106 ± 0.002° |
| Cell volume | 1347.33 ± 0.11 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1048 |
| Residual factor for significantly intense reflections | 0.0546 |
| Weighted residual factors for significantly intense reflections | 0.1149 |
| Weighted residual factors for all reflections included in the refinement | 0.1559 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| 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 |
|---|---|---|---|
| 179510 (current) | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/07. |
4340714.cif |
| 122905 | 2014-09-06 | cif/ Updating files of 4340712, 4340713, 4340714, 4340715 Original log message: Adding full bibliography for 4340712--4340715.cif. |
4340714.cif |
| 122016 | 2014-08-18 | cif/ Adding structures of 4340712, 4340713, 4340714, 4340715 via cif-deposit CGI script. |
4340714.cif |
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Users of the data should acknowledge the original authors of the
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