Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1508520
Preview
| Coordinates | 1508520.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (OC-6-54)-Dichlorido(N,N-dimethyl-ethane-1,2-diamine)aquamethoxidoplatinum(IV) trifluoroacetate |
|---|---|
| Formula | C7 H17 Cl2 F3 N2 O4 Pt |
| Calculated formula | C7 H17 Cl2 F3 N2 O4 Pt |
| SMILES | [Pt]1(Cl)(Cl)([OH2])(OC)[NH2]CC[N]1(C)C.[O-]C(=O)C(F)(F)F |
| Title of publication | Unsymmetric Mono- and Dinuclear Platinum(IV) Complexes Featuring an Ethylene Glycol Moiety: Synthesis, Characterization, and Biological Activity. |
| Authors of publication | Pichler, Verena; Heffeter, Petra; Valiahdi, Seied M.; Kowol, Christian R.; Egger, Alexander; Berger, Walter; Jakupec, Michael A.; Galanski, Markus; Keppler, Bernhard K. |
| Journal of publication | Journal of medicinal chemistry |
| Year of publication | 2012 |
| Journal volume | 55 |
| Journal issue | 24 |
| Pages of publication | 11052 - 11061 |
| a | 6.1836 ± 0.0002 Å |
| b | 8.0658 ± 0.0003 Å |
| c | 15.5374 ± 0.0007 Å |
| α | 102.217 ± 0.003° |
| β | 92.75 ± 0.003° |
| γ | 108.655 ± 0.002° |
| Cell volume | 711.98 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0253 |
| Residual factor for significantly intense reflections | 0.0228 |
| Weighted residual factors for significantly intense reflections | 0.0539 |
| Weighted residual factors for all reflections included in the refinement | 0.0548 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1508520.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1508520.cif |
| 72030 | 2013-01-21 | cif/ Adding structures of 1508520 via cif-deposit CGI script. |
1508520.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.