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Information card for entry 7013411
Preview
Coordinates | 7013411.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C4 H6 Cu N6 S2 |
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Calculated formula | C4 H6 Cu N6 S2 |
SMILES | [Cu]123SC(=N[N]2=CC=[N]3N=C(S1)N)N |
Title of publication | Structural trends in copper(II) bis(thiosemicarbazone) radiopharmaceuticals |
Authors of publication | Blower, Philip J.; Castle, Thomas C.; Cowley, Andrew R.; Dilworth, Jonathan R.; Donnelly, Paul S.; Labisbal, Elena; Sowrey, Frank E.; Teat, Simon J.; Went, Michael J. |
Journal of publication | Dalton Transactions |
Year of publication | 2003 |
Journal issue | 23 |
Pages of publication | 4416 - 4425 |
a | 6.7026 ± 0.0006 Å |
b | 3.9436 ± 0.0003 Å |
c | 32.307 ± 0.003 Å |
α | 90° |
β | 92.919 ± 0.002° |
γ | 90° |
Cell volume | 852.84 ± 0.13 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0382 |
Residual factor for significantly intense reflections | 0.0318 |
Weighted residual factors for significantly intense reflections | 0.0739 |
Weighted residual factors for all reflections included in the refinement | 0.0751 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.976 |
Diffraction radiation wavelength | 0.6904 Å |
Diffraction radiation type | Synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7013411.html
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