Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7015631
Preview
| Coordinates | 7015631.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H9 I2 N3 Pt |
|---|---|
| Calculated formula | C5 H9 I2 N3 Pt |
| SMILES | [Pt]1(I)(I)[n]2n(ccc2)CC[NH2]1 |
| Title of publication | Pt(ii) complexes with bidentate and tridentate pyrazolyl-containing chelators: synthesis, structural characterization and biological studies. |
| Authors of publication | Francisco, Carla; Gama, Sofia; Mendes, Filipa; Marques, Fernanda; Cordeiro Dos Santos, Isabel; Paulo, António; Santos, Isabel; Coimbra, Joana; Gabano, Elisabetta; Ravera, Mauro |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 21 |
| Pages of publication | 5781 - 5792 |
| a | 17.8791 ± 0.0002 Å |
| b | 6.7986 ± 0.0006 Å |
| c | 8.3581 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1015.95 ± 0.1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0277 |
| Residual factor for significantly intense reflections | 0.0269 |
| Weighted residual factors for significantly intense reflections | 0.0648 |
| Weighted residual factors for all reflections included in the refinement | 0.0652 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179860 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/56. |
7015631.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015631.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015631.cif |
| 21208 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7015631, 7015632, 7015633 via cif-deposit CGI script. |
7015631.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.