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Information card for entry 7012757
Preview
| Coordinates | 7012757.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H14 N2 O7 V |
|---|---|
| Calculated formula | C14 H14 N2 O7 V |
| SMILES | [V]123(OC(=O)C[O]1CC(=O)O2)(=O)[n]1ccccc1c1[n]3cccc1.O |
| Title of publication | Synthesis, molecular structure and properties of oxo-vanadium(iv) complexes containing the oxydiacetate ligand |
| Authors of publication | del Río, Diego; Galindo, Agustín; Vicente, Ramón; Mealli, Carlo; Ienco, Andrea; Masi, Dante |
| Journal of publication | Dalton Transactions |
| Year of publication | 2003 |
| Journal issue | 9 |
| Pages of publication | 1813 |
| a | 15.995 ± 0.005 Å |
| b | 10.784 ± 0.005 Å |
| c | 19.143 ± 0.005 Å |
| α | 90° |
| β | 114.01 ± 0.005° |
| γ | 90° |
| Cell volume | 3016.3 ± 1.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.1261 |
| Residual factor for significantly intense reflections | 0.0711 |
| Weighted residual factors for significantly intense reflections | 0.1722 |
| Weighted residual factors for all reflections included in the refinement | 0.1934 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.166 |
| 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 |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7012757.cif |
| 179831 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/27. |
7012757.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7012757.cif |
| 70898 | 2013-01-11 | Adding SMILES for a number of checked compounds with oxygen "in brackets" |
7012757.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7012757.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7012757.cif |
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Users of the data should acknowledge the original authors of the
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