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Information card for entry 4085546
Preview
| Coordinates | 4085546.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [(Chlorido)(1,3-dioxo-kappaO1-1H-inden-2(3H)-ylidene)(benzylamino)- methanolato-kappaO2)(eta^6^-p-cymene)ruthenium(II)] |
|---|---|
| Formula | C27 H26 Cl N O3 Ru |
| Calculated formula | C27 H26 Cl N O3 Ru |
| SMILES | [Ru]123456(Cl)([O]=C7C(=C(O1)NCc1ccccc1)C(=O)c1c7cccc1)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C(C)C)C |
| Title of publication | 1,3-Dioxoindan-2-carboxamides as Bioactive Ligand Scaffolds for the Development of Novel Organometallic Anticancer Drugs |
| Authors of publication | Mokesch, Stephan; Novak, Maria S.; Roller, Alexander; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K. |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 5 |
| Pages of publication | 848 |
| a | 7.7476 ± 0.0011 Å |
| b | 12.466 ± 0.002 Å |
| c | 12.598 ± 0.002 Å |
| α | 93.589 ± 0.009° |
| β | 101.776 ± 0.007° |
| γ | 102.005 ± 0.007° |
| Cell volume | 1158 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0663 |
| Residual factor for significantly intense reflections | 0.0568 |
| Weighted residual factors for significantly intense reflections | 0.1392 |
| Weighted residual factors for all reflections included in the refinement | 0.149 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178744 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/55. |
4085546.cif |
| 134860 | 2015-04-04 | cif/ Updating files of 4085546, 4085547 Original log message: Adding full bibliography for 4085546--4085547.cif. |
4085546.cif |
| 132164 | 2015-02-21 | cif/ Adding structures of 4085546, 4085547 via cif-deposit CGI script. |
4085546.cif |
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Users of the data should acknowledge the original authors of the
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