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Information card for entry 7039595
Preview
Coordinates | 7039595.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H22 F6 N O2 P Ru S5 |
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Calculated formula | C13 H22 F6 N O2 P Ru S5 |
SMILES | [Ru]123([S]4CC[S]1CC[S]2CC4)(Sc1n(=[O]3)cccc1)[S](=O)(C)C.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Pyrithione-based ruthenium complexes as inhibitors of aldo-keto reductase 1C enzymes and anticancer agents. |
Authors of publication | Kljun, Jakob; Anko, Maja; Traven, Katja; Sinreih, Maša; Pavlič, Renata; Peršič, Špela; Ude, Žiga; Codina, Elisa Esteve; Stojan, Jure; Lanišnik Rižner, Tea; Turel, Iztok |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 29 |
Pages of publication | 11791 - 11800 |
a | 7.8145 ± 0.0003 Å |
b | 12.1293 ± 0.0005 Å |
c | 12.2989 ± 0.0005 Å |
α | 99.963 ± 0.004° |
β | 101.149 ± 0.004° |
γ | 107.554 ± 0.004° |
Cell volume | 1056.61 ± 0.08 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0395 |
Residual factor for significantly intense reflections | 0.028 |
Weighted residual factors for significantly intense reflections | 0.0525 |
Weighted residual factors for all reflections included in the refinement | 0.0581 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7039595.html
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Users of the data should acknowledge the original authors of the
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