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Information card for entry 1557310
Preview
| Coordinates | 1557310.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Cu(3L)Cl(bipy)].0.5H2O |
|---|---|
| Formula | C16 H15 Cl Cu N5 O4.5 |
| Calculated formula | C4 Cl Cu N3 O4.5 |
| SMILES | [Cu]12(Cl)([O]=CC=N1=O)[NH2]CC[NH2]2.O.O.O |
| Title of publication | Structural Characterization of Closely Related Mononuclear CuII Complexes of 5-Nitrosooxime Pyrimidines. A Combined X-Ray and EPR Study |
| Authors of publication | Kivekas, Raikko; Pajunen, Aarne; Colacio, Enrique; Dominguez-Vera, Jose M.; Moreno, Jose Maria; Romerosa, Antonio |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1997 |
| Journal volume | 51 |
| Pages of publication | 1051 - 1057 |
| a | 13.813 ± 0.005 Å |
| b | 40.529 ± 0.014 Å |
| c | 12.404 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6944 ± 4 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.0685 |
| Weighted residual factors for significantly intense reflections | 0.114 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.757 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 248079 (current) | 2020-02-12 | cif/ Adding structures of 1557310 via cif-deposit CGI script. |
1557310.cif |
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Users of the data should acknowledge the original authors of the
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