Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1564103
Preview
| Coordinates | 1564103.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H16 Cl2 Mn N4 O |
|---|---|
| Calculated formula | C17 H16 Cl2 Mn N4 O |
| SMILES | [Mn]12(Cl)(Cl)([n]3c(N([N]1=Cc1[n]2cccc1)c1ccccc1)cccc3)[OH2] |
| Title of publication | Bio-macromolecular interaction studies: Synthesis, crystal structure of water-soluble manganese(II) complexes |
| Authors of publication | Tyagi, Nidhi; Singh, Ovender; Mishra, Rakesh K.; Ghosh, Kaushik |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2020 |
| Journal volume | 512 |
| Pages of publication | 119882 |
| a | 8.6212 ± 0.0004 Å |
| b | 10.6416 ± 0.0005 Å |
| c | 20.3192 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1864.15 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0838 |
| Residual factor for significantly intense reflections | 0.0599 |
| Weighted residual factors for significantly intense reflections | 0.1473 |
| Weighted residual factors for all reflections included in the refinement | 0.1672 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267440 (current) | 2021-07-09 | cif/ Adding structures of 1564103 via cif-deposit CGI script. |
1564103.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.