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Information card for entry 4342852
Preview
Coordinates | 4342852.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H17 N3 S |
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Calculated formula | C24 H17 N3 S |
SMILES | S(c1ccc(C#Cc2cc(nc(c2)c2ncccc2)c2ncccc2)cc1)C |
Title of publication | Synthesis, Electrochemistry, and Single-Molecule Conductance of Bimetallic 2,3,5,6-Tetra(pyridine-2-yl)pyrazine-Based Complexes. |
Authors of publication | Davidson, Ross; Liang, Jing-Hong; Costa Milan, David; Mao, Bing-Wei; Nichols, Richard J.; Higgins, Simon J.; Yufit, Dmitry S.; Beeby, Andrew; Low, Paul J. |
Journal of publication | Inorganic chemistry |
Year of publication | 2015 |
Journal volume | 54 |
Journal issue | 11 |
Pages of publication | 5487 - 5494 |
a | 10.387 ± 0.0012 Å |
b | 27.297 ± 0.003 Å |
c | 14.2014 ± 0.0016 Å |
α | 90° |
β | 110.552 ± 0.004° |
γ | 90° |
Cell volume | 3770.3 ± 0.7 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 4 |
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 | 0.1067 |
Residual factor for significantly intense reflections | 0.0595 |
Weighted residual factors for significantly intense reflections | 0.1291 |
Weighted residual factors for all reflections included in the refinement | 0.1495 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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