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Information card for entry 1519083
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| Coordinates | 1519083.cif |
|---|
| Formula | C14 H12 Cu N2 Na2 O11 |
|---|---|
| Calculated formula | C14 Cu N2 Na2 O11 |
| SMILES | [Cu]12([OH2])(OC(=O)c3[n]1ccc(c3)C(=O)[O-])OC(=O)c1[n]2ccc(c1)C(=O)[O-].[Na+].[Na+].O.O |
| Title of publication | Solid-State Coordination Chemistry of Pyridinedicarboxylic Acid Isomers. II. Crystal and Molecular Structure of Sodium Bis(pyridine-2,4-dicarboxylato)cuprate(II) trihydrate. |
| Authors of publication | Sileo, Elsa E.; Rigotti, Graciela; Piro, Oscar E. |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1999 |
| Journal volume | 53 |
| Pages of publication | 535 - 541 |
| a | 12.969 ± 0.005 Å |
| b | 8.3153 ± 0.0009 Å |
| c | 16.004 ± 0.002 Å |
| α | 90° |
| β | 103.36 ± 0.02° |
| γ | 90° |
| Cell volume | 1679.2 ± 0.7 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for significantly intense reflections | 0.074 |
| Weighted residual factors for significantly intense reflections | 0.222 |
| 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 |
|---|---|---|---|
| 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. |
1519083.cif |
| 135359 | 2015-04-25 | cif/ Adding structures of 1519083 via cif-deposit CGI script. |
1519083.cif |
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