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Information card for entry 7015656
Preview
| Coordinates | 7015656.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H24 Cl2 N4 O2 Ru S2 |
|---|---|
| Calculated formula | C18 H24 Cl2 N4 O2 Ru S2 |
| SMILES | [Ru]1(Cl)(Cl)([n]2ccccc2Cn2[n]1nc(c2)c1ccccc1)([S](=O)(C)C)[S](=O)(C)C |
| Title of publication | 1-(2-Picolyl)-substituted 1,2,3-triazole as novel chelating ligand for the preparation of ruthenium complexes with potential anticancer activity. |
| Authors of publication | Bratsos, Ioannis; Urankar, Damijana; Zangrando, Ennio; Genova-Kalou, Petia; Košmrlj, Janez; Alessio, Enzo; Turel, Iztok |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 19 |
| Pages of publication | 5188 - 5199 |
| a | 10.796 ± 0.003 Å |
| b | 12.813 ± 0.003 Å |
| c | 16.22 ± 0.004 Å |
| α | 90 ± 0.02° |
| β | 91.19 ± 0.02° |
| γ | 90 ± 0.02° |
| Cell volume | 2243.2 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0985 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for significantly intense reflections | 0.1027 |
| Weighted residual factors for all reflections included in the refinement | 0.116 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.838 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179860 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/56. |
7015656.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015656.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015656.cif |
| 21214 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7015655, 7015656, 7015657, 7015658 via cif-deposit CGI script. |
7015656.cif |
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