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Information card for entry 1549190
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Coordinates | 1549190.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Ni(MeS-tzdt)2] |
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Formula | C8 H6 N2 Ni S8 |
Calculated formula | C8 H6 N2 Ni S8 |
SMILES | [Ni]12(Sc3sc(SC)nc3S1)Sc1nc(sc1S2)SC |
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 | 5.0234 ± 0.0009 Å |
b | 21.36 ± 0.004 Å |
c | 7.1729 ± 0.0014 Å |
α | 90° |
β | 106.652 ± 0.005° |
γ | 90° |
Cell volume | 737.4 ± 0.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.1332 |
Residual factor for significantly intense reflections | 0.0553 |
Weighted residual factors for significantly intense reflections | 0.0933 |
Weighted residual factors for all reflections included in the refinement | 0.1165 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.97 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1549190.html
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Users of the data should acknowledge the original authors of the
structural data.