Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1543605
Preview
Coordinates | 1543605.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H14 Cl N3 O3 Pt S |
---|---|
Calculated formula | C11 H14 Cl N3 O3 Pt S |
SMILES | c1cccc2C3(C)C(=O)NC(=O)N3[Pt]([n]12)(Cl)[S](C)(C)=O |
Title of publication | Platinum and palladium complexes with 5-methyl-5-(2-pyridyl)-2,4-imidazolidenedione: Synthesis, crystal and molecular structure, theoretical study, and pharmacological investigation |
Authors of publication | Seyyed Javad Sabounchei; Parisa Shahriary; Yasin Gholiee; Sadegh Salehzadeh; Hamid Reza Khavasi; Abdolkarim Chehregani |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2014 |
Pages of publication | 265 - 275 |
a | 10.6521 ± 0.0006 Å |
b | 11.2072 ± 0.0007 Å |
c | 15.103 ± 0.0008 Å |
α | 70.22 ± 0.004° |
β | 73.026 ± 0.004° |
γ | 61.446 ± 0.004° |
Cell volume | 1471.66 ± 0.16 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.0838 |
Residual factor for significantly intense reflections | 0.0572 |
Weighted residual factors for significantly intense reflections | 0.1335 |
Weighted residual factors for all reflections included in the refinement | 0.1432 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.972 |
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/1543605.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.