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Information card for entry 1549191
Preview
| Coordinates | 1549191.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H10 N2 Ni S8 |
|---|---|
| Calculated formula | C10 H10 N2 Ni S8 |
| SMILES | [Ni]12(Sc3sc(SCC)nc3S1)Sc1nc(sc1S2)SCC |
| Title of publication | Neutral, closed-shell nickel bis(2-alkylthio-thiazole-4,5-dithiolate) complexes as single component molecular conductors. |
| Authors of publication | Hachem, Hadi; Xu, Zijun; Bellec, Nathalie; Jeannin, Olivier; Auban-Senzier, Pascale; Guizouarn, Thierry; Fourmigué, Marc; Lorcy, Dominique |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 18 |
| Pages of publication | 6580 - 6589 |
| a | 6.6193 ± 0.0006 Å |
| b | 4.0075 ± 0.0004 Å |
| c | 15.4038 ± 0.0014 Å |
| α | 101.262 ± 0.003° |
| β | 87.941 ± 0.003° |
| γ | 91.618 ± 0.003° |
| Cell volume | 400.39 ± 0.07 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0239 |
| Residual factor for significantly intense reflections | 0.019 |
| Weighted residual factors for significantly intense reflections | 0.0585 |
| Weighted residual factors for all reflections included in the refinement | 0.0768 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.288 |
| 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 |
|---|---|---|---|
| 229872 (current) | 2019-11-17 | cif/ Updating files of 1549190, 1549191, 1549192, 1549193, 1549194, 1549195 Original log message: Adding full bibliography for 1549190--1549195.cif. |
1549191.cif |
| 207229 | 2018-04-05 | cif/ Adding structures of 1549190, 1549191, 1549192, 1549193, 1549194, 1549195 via cif-deposit CGI script. |
1549191.cif |
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Users of the data should acknowledge the original authors of the
structural data.