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Information card for entry 2233165
Preview
| Coordinates | 2233165.cif |
|---|---|
| Structure factors | 2233165.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Di-μ-oxido-bis[(2-ethoxy-6-{[2-(2- hydroxyethylamino)ethylimino]methyl}phenolato- κ^3^<i>N</i>,<i>N</i>',<i>O</i>^1^)oxidovanadium(V)] |
|---|---|
| Formula | C26 H38 N4 O10 V2 |
| Calculated formula | C26 H38 N4 O10 V2 |
| SMILES | c12c(cccc2C=[N]2[V]3(O1)(=O)([NH](CC2)CCO)O[V]12([N](=Cc4c(c(ccc4)OCC)O2)CC[NH]1CCO)(O3)=O)OCC |
| Title of publication | Di-μ-oxido-bis[(2-ethoxy-6-{[2-(2-hydroxyethylamino)ethylimino]methyl}phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>^1^)oxidovanadium(V)] |
| Authors of publication | Wang, Fu-Ming |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | m26 - m27 |
| a | 9.907 ± 0.003 Å |
| b | 6.793 ± 0.002 Å |
| c | 22.279 ± 0.003 Å |
| α | 90° |
| β | 94.886 ± 0.002° |
| γ | 90° |
| Cell volume | 1493.9 ± 0.7 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0721 |
| Residual factor for significantly intense reflections | 0.0554 |
| Weighted residual factors for significantly intense reflections | 0.159 |
| Weighted residual factors for all reflections included in the refinement | 0.1716 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2233165.cif 2233165.hkl |
| 181253 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/31. |
2233165.cif 2233165.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2233165.cif 2233165.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233165.cif 2233165.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2233165.cif 2233165.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233165.cif 2233165.hkl |
| 32224 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233165 via cif-deposit CGI script. |
2233165.cif |
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Users of the data should acknowledge the original authors of the
structural data.