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Information card for entry 1509822
Preview
| Coordinates | 1509822.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H18 Cu N2 O5 |
|---|---|
| Calculated formula | C18 H18 Cu N2 O5 |
| SMILES | [Cu]12([N]([C@@H](Cc3c[nH]c4c3cccc4)C(=O)O1)=Cc1c(O2)cccc1)[OH2].O |
| Title of publication | X-ray Diffraction Structures of Two N-Salicylidine Tryptophanato Diaquocopper(II) Complexes: Erythro and Threo Isomers |
| Authors of publication | Angel García-Raso; Juan J. Fiol; Ferrán Bádenas; Miguel Quirós |
| Journal of publication | Polyhedron |
| Year of publication | 1996 |
| Journal volume | 15 |
| Pages of publication | 4407 - 4413 |
| a | 6.15 ± 0.002 Å |
| b | 9.426 ± 0.002 Å |
| c | 28.448 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1649.1 ± 0.7 Å3 |
| Cell temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.057 |
| Weighted residual factors for all reflections included in the refinement | 0.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1509822.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1509822.cif |
| 82854 | 2013-04-30 | cif/ Adding structures of 1509822 via cif-deposit CGI script. |
1509822.cif |
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Users of the data should acknowledge the original authors of the
structural data.