Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7036556
Preview
| Coordinates | 7036556.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (η6-p-cymene)(N-(2-((5-chloro-2-hydroxyphenyl)methylimino)ethyl)-7-chloroquinolin-4-amine) chlororuthenium(II) |
|---|---|
| Formula | C28 H28 Cl3 N3 O Ru |
| Calculated formula | C28 H28 Cl3 N3 O Ru |
| SMILES | [Ru]123456(Cl)(Oc7c(C=[N]1CCNc1c8ccc(Cl)cc8ncc1)cc(Cl)cc7)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)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 | 9.3205 ± 0.0014 Å |
| b | 15.822 ± 0.005 Å |
| c | 18.804 ± 0.005 Å |
| α | 90° |
| β | 103.675 ± 0.018° |
| γ | 90° |
| Cell volume | 2694.4 ± 1.2 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 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 | 0.1136 |
| Residual factor for significantly intense reflections | 0.0415 |
| Weighted residual factors for significantly intense reflections | 0.0647 |
| Weighted residual factors for all reflections included in the refinement | 0.0886 |
| Goodness-of-fit parameter for significantly intense reflections | 1.07 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288070 (current) | 2023-12-06 | cif/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9818. This change affected only the misspelt variants of the '_atom_site_site_symmetry_multiplicity' and '_atom_site_refinement_flag' data names. |
7036556.cif |
| 176429 | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
7036556.cif |
| 171215 | 2015-12-09 | cif/ Updating files of 7036554, 7036555, 7036556, 7036557, 7036558 Original log message: Adding full bibliography for 7036554--7036558.cif. |
7036556.cif |
| 156715 | 2015-09-17 | cif/ Adding structures of 7036554, 7036555, 7036556, 7036557, 7036558 via cif-deposit CGI script. |
7036556.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.