Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7040276
Preview
Coordinates | 7040276.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H17 Cl O3 Pt S3 |
---|---|
Calculated formula | C13 H17 Cl O3 Pt S3 |
SMILES | [Pt]1(OC(=CC(=[S]1)SC)c1ccc(OC)cc1)(Cl)[S](=O)(C)C |
Title of publication | Platinum(ii) O,S complexes as potential metallodrugs against Cisplatin resistance. |
Authors of publication | Hildebrandt, Jana; Häfner, Norman; Görls, Helmar; Kritsch, Daniel; Ferraro, Giarita; Dürst, Matthias; Runnebaum, Ingo B.; Merlino, Antonello; Weigand, Wolfgang |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 47 |
Pages of publication | 18876 - 18891 |
a | 7.2182 ± 0.0003 Å |
b | 10.6518 ± 0.0004 Å |
c | 22.3309 ± 0.0007 Å |
α | 93.262 ± 0.002° |
β | 97.228 ± 0.002° |
γ | 100.948 ± 0.002° |
Cell volume | 1666.54 ± 0.11 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0388 |
Residual factor for significantly intense reflections | 0.0296 |
Weighted residual factors for significantly intense reflections | 0.0653 |
Weighted residual factors for all reflections included in the refinement | 0.0695 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7040276.html
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.