Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7056350
Preview
| Coordinates | 7056350.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H17 Cl2 N5 Pt |
|---|---|
| Calculated formula | C10 H17 Cl2 N5 Pt |
| SMILES | [Pt](Cl)(Cl)([NH3])[n]1cnn2c1nc(C)cc2CC(C)C |
| Title of publication | Experimental and theoretical investigation of the complexation of 5-methyl-7-isobutyl-1,2,4-triazolo[1,5-a]pyrimidine by platinum(II) ion |
| Authors of publication | Łakomska, Iwona; babinska, magdalena; Wojtczak, Andrzej; Kozakiewicz, Anna; Sitkowski, Jerzy; Jarzecki, Andrzej A. |
| Journal of publication | New J. Chem. |
| Year of publication | 2017 |
| a | 13.983 ± 0.004 Å |
| b | 7.6739 ± 0.0011 Å |
| c | 15.073 ± 0.004 Å |
| α | 90° |
| β | 116.36 ± 0.04° |
| γ | 90° |
| Cell volume | 1449.2 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1176 |
| Residual factor for significantly intense reflections | 0.0766 |
| Weighted residual factors for significantly intense reflections | 0.1946 |
| Weighted residual factors for all reflections included in the refinement | 0.213 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198067 (current) | 2017-06-22 | cif/ Adding structures of 7056348, 7056349, 7056350, 7056351 via cif-deposit CGI script. |
7056350.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.