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Information card for entry 1557479
Preview
| Coordinates | 1557479.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | trans-Di(benzoato-O)bis(1,3-diamino-2-hydroxypropane-N,N')copper(II) |
|---|---|
| Formula | C20 H30 Cu N4 O6 |
| Calculated formula | C20 Cu N4 O6 |
| SMILES | C1C(C[NH2][Cu]2([NH2]CC(C[NH2]2)O)([NH2]1)(OC(c1ccccc1)=O)OC(=O)c1ccccc1)O |
| Title of publication | Crystal and Molecular Structure of trans-Di(benzoato-O)bis(1,3-diamino-2-hydroxypropane-N,N')copper(II) at 193 and 296 K |
| Authors of publication | Sundberg, Markku R.; Klinga, Martti; Uggla, Rolf; Bockelmann, Wolfgang; Valo, Jaana |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1996 |
| Journal volume | 50 |
| Pages of publication | 405 - 410 |
| a | 6.507 ± 0.009 Å |
| b | 7.182 ± 0.007 Å |
| c | 24.3 ± 0.008 Å |
| α | 90° |
| β | 95.02 ± 0.07° |
| γ | 90° |
| Cell volume | 1131 ± 2 Å3 |
| Ambient diffraction temperature | 193 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 significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.047 |
| 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 |
|---|---|---|---|
| 249074 (current) | 2020-03-05 | cif/ Adding structures of 1557479 via cif-deposit CGI script. |
1557479.cif |
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