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Information card for entry 4341290
Preview
| Coordinates | 4341290.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H23 Cl2 N3 O4 Ru |
|---|---|
| Calculated formula | C20 H23 Cl2 N3 O4 Ru |
| SMILES | [Ru]123456(Cl)([n]7ccccc7c7[n]1c1c([nH]7)cccc1)[c]1([cH]6[cH]5[cH]4[cH]3[cH]21)OCCO.[Cl-].O.O |
| Title of publication | Derivation of Structure-Activity Relationships from the Anticancer Properties of Ruthenium(II) Arene Complexes with 2-Aryldiazole Ligands. |
| Authors of publication | Martínez-Alonso, Marta; Busto, Natalia; Jalón, Félix A; Manzano, Blanca R.; Leal, José M; Rodríguez, Ana M; García, Begoña; Espino, Gustavo |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 20 |
| Pages of publication | 11274 - 11288 |
| a | 7.1156 ± 0.0013 Å |
| b | 25.881 ± 0.005 Å |
| c | 11.671 ± 0.002 Å |
| α | 90° |
| β | 103.311 ± 0.003° |
| γ | 90° |
| Cell volume | 2091.6 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0339 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.0833 |
| Weighted residual factors for all reflections included in the refinement | 0.0868 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179515 (current) | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/12. |
4341290.cif |
| 126929 | 2014-11-12 | cif/ Updating files of 4341290, 4341291, 4341292, 4341293, 4341294, 4341295, 4341296 Original log message: Adding full bibliography for 4341290--4341296.cif. |
4341290.cif |
| 125294 | 2014-10-12 | cif/ Adding structures of 4341290, 4341291, 4341292, 4341293, 4341294, 4341295, 4341296 via cif-deposit CGI script. |
4341290.cif |
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