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Information card for entry 1520610
Preview
| Coordinates | 1520610.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H36 Cl Cr N6 O9 |
|---|---|
| Calculated formula | C26 Cl Cr N6 O9 |
| SMILES | [Cr]123(O)(O)[N](CC[N]2(Cc2[n]3cccc2)Cc2ncccc2)(Cc2[n]1cccc2)Cc1ncccc1.Cl(=O)(=O)(=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 | 9.6166 ± 0.0004 Å |
| b | 16.119 ± 0.001 Å |
| c | 19.445 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3014.2 ± 0.3 Å3 |
| Ambient diffraction temperature | 298 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 significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.04 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.077 |
| 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 |
|---|---|---|---|
| 139405 (current) | 2015-06-19 | cif/ Adding structures of 1520610 via cif-deposit CGI script. |
1520610.cif |
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