Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7036558
Preview
Coordinates | 7036558.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (η6-p-cymene)(N-(2-((5-iodo-2-hydroxyphenyl)methylimino)ethyl)-7-chloroquinolin-4-amine) chlororuthenium(II) |
---|---|
Formula | C28 H28 Cl2 I N3 O Ru |
Calculated formula | C28 H28 Cl2 I N3 O Ru |
SMILES | [Ru]123456(Cl)(Oc7c(C=[N]1CCNc1ccnc8cc(Cl)ccc18)cc(I)cc7)[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 | 6.5071 ± 0.0011 Å |
b | 18.214 ± 0.003 Å |
c | 22.628 ± 0.004 Å |
α | 90° |
β | 91.422 ± 0.002° |
γ | 90° |
Cell volume | 2681.1 ± 0.8 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0333 |
Residual factor for significantly intense reflections | 0.0282 |
Weighted residual factors for significantly intense reflections | 0.0691 |
Weighted residual factors for all reflections included in the refinement | 0.0719 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
171215 (current) | 2015-12-09 | cif/ Updating files of 7036554, 7036555, 7036556, 7036557, 7036558 Original log message: Adding full bibliography for 7036554--7036558.cif. |
7036558.cif |
156715 | 2015-09-17 | cif/ Adding structures of 7036554, 7036555, 7036556, 7036557, 7036558 via cif-deposit CGI script. |
7036558.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.