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Information card for entry 1556705
Preview
| Coordinates | 1556705.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H32 Cu N6 O4 |
|---|---|
| Calculated formula | C16 H32 Cu N6 O4 |
| SMILES | C1(=NC(=[NH][Cu]2(N1)NC(=NC(=[NH]2)OCCC)OCCC)OCCC)OCCC |
| Title of publication | A Comparative Study of the Catalytic Behaviour of Alkoxy-1,3,5-Triazapentadiene Copper(II) Complexes in Cyclohexane Oxidation |
| Authors of publication | Nesterova, O.V.; Kopylovich, M.N.; Nesterov, D.S. |
| Journal of publication | Inorganics |
| Year of publication | 2019 |
| Journal volume | 7 |
| Pages of publication | 82 |
| a | 24.916 ± 0.002 Å |
| b | 9.3586 ± 0.0009 Å |
| c | 9.3255 ± 0.0009 Å |
| α | 90° |
| β | 92.291 ± 0.003° |
| γ | 90° |
| Cell volume | 2172.8 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.098 |
| Residual factor for significantly intense reflections | 0.0671 |
| Weighted residual factors for significantly intense reflections | 0.1395 |
| Weighted residual factors for all reflections included in the refinement | 0.1546 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245500 (current) | 2019-12-23 | cif/ Adding structures of 1556705 via cif-deposit CGI script. |
1556705.cif |
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Users of the data should acknowledge the original authors of the
structural data.