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Information card for entry 7036935
Preview
Coordinates | 7036935.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H20 N6 S2 |
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Calculated formula | C20 H20 N6 S2 |
SMILES | S=C(NCC=C)NN=C1C(=NNC(=S)NCC=C)c2cccc3cccc1c23 |
Title of publication | Microwave gallium-68 radiochemistry for kinetically stable bis(thiosemicarbazone) complexes: structural investigations and cellular uptake under hypoxia. |
Authors of publication | Alam, Israt S.; Arrowsmith, Rory L.; Cortezon-Tamarit, Fernando; Twyman, Frazer; Kociok-Köhn, Gabriele; Botchway, Stanley W.; Dilworth, Jonathan R.; Carroll, Laurence; Aboagye, Eric O.; Pascu, Sofia I. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 45 |
Journal issue | 1 |
Pages of publication | 144 - 155 |
a | 7.859 ± 0.007 Å |
b | 11.04 ± 0.009 Å |
c | 12.049 ± 0.009 Å |
α | 90.546 ± 0.006° |
β | 95.388 ± 0.001° |
γ | 110.304 ± 0.013° |
Cell volume | 975.1 ± 1.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0802 |
Residual factor for significantly intense reflections | 0.0573 |
Weighted residual factors for significantly intense reflections | 0.1398 |
Weighted residual factors for all reflections included in the refinement | 0.151 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 0.6889 Å |
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/7036935.html
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Users of the data should acknowledge the original authors of the
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