Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1520607
Preview
| Coordinates | 1520607.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H33 Cl2 Cr N6 O11 |
|---|---|
| Calculated formula | C28 Cl2 Cr N6 O11 |
| SMILES | [Cr]1234(OC(=O)C)[N](CC[N]3(Cc3[n]4cccc3)Cc3ncccc3)(Cc3[n]1cccc3)Cc1[n]2cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O |
| Title of publication | Chromium(III) Complexes of the Hexadentate Ligand N,N,N',N'- Tetrakis(2-pyridylmethyl)ethane-1,2-diamine. Synthesis, Structure and Reactivity |
| Authors of publication | Eriksen, J.; Goodson, P.; Hazell, A.; Hodgson, D. J.; Michelsen, K.; Monsted, O.; Rasmussen, J. C.; Toftlund, H. |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1999 |
| Journal volume | 53 |
| Pages of publication | 1083 - 1092 |
| a | 12.414 ± 0.003 Å |
| b | 10.74 ± 0.002 Å |
| c | 13.682 ± 0.003 Å |
| α | 75.05 ± 0.01° |
| β | 109.38 ± 0.01° |
| γ | 109.6 ± 0.01° |
| Cell volume | 1598.9 ± 0.6 Å3 |
| Ambient diffraction temperature | 294 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 significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.051 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.24 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 139402 (current) | 2015-06-19 | cif/ Adding structures of 1520607 via cif-deposit CGI script. |
1520607.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.