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Information card for entry 7036554
Preview
| Coordinates | 7036554.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (η6-p-cymene)(2-(((2-((7-chloroquinolin-4-yl)amino)ethyl)imino)methyl)-4-methoxy-phenol))chloroosmium(II) |
|---|---|
| Formula | C29 H31 Cl2 N3 O2 Os |
| Calculated formula | C29 H31 Cl2 N3 O2 Os |
| SMILES | [Os]123456(Oc7c(C=[N]1CCNc1ccnc8cc(Cl)ccc18)cc(OC)cc7)(Cl)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C(C)C)C |
| Title of publication | Antimalarial activity of ruthenium(ii) and osmium(ii) arene complexes with mono- and bidentate chloroquine analogue ligands. |
| Authors of publication | Ekengard, Erik; Glans, Lotta; Cassells, Irwin; Fogeron, Thibault; Govender, Preshendren; Stringer, Tameryn; Chellan, Prinessa; Lisensky, George C.; Hersh, William H.; Doverbratt, Isa; Lidin, Sven; de Kock, Carmen; Smith, Peter J.; Smith, Gregory S.; Nordlander, Ebbe |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 44 |
| Pages of publication | 19314 - 19329 |
| a | 8.9203 ± 0.0002 Å |
| b | 15.7392 ± 0.0004 Å |
| c | 19.7232 ± 0.0004 Å |
| α | 90° |
| β | 99.676 ± 0.002° |
| γ | 90° |
| Cell volume | 2729.71 ± 0.11 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0458 |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.0735 |
| Weighted residual factors for all reflections included in the refinement | 0.075 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.51 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7036554.cif |
| 171215 | 2015-12-09 | cif/ Updating files of 7036554, 7036555, 7036556, 7036557, 7036558 Original log message: Adding full bibliography for 7036554--7036558.cif. |
7036554.cif |
| 156715 | 2015-09-17 | cif/ Adding structures of 7036554, 7036555, 7036556, 7036557, 7036558 via cif-deposit CGI script. |
7036554.cif |
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Users of the data should acknowledge the original authors of the
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