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Information card for entry 2232288
Preview
| Coordinates | 2232288.cif |
|---|---|
| Structure factors | 2232288.hkl |
| Original IUCr paper | HTML |
| Chemical name | [<i>N</i>'-(3-Ethoxy-2-oxidobenzylidene-κ<i>O</i>^2^)-4- methylbenzohydrazidato-κ^2^<i>O</i>,<i>N</i>'](methanolato- κ<i>O</i>)oxidovanadium(V) |
|---|---|
| Formula | C18 H19 N2 O5 V |
| Calculated formula | C18 H19 N2 O5 V |
| SMILES | [V]12([N](N=C(O2)c2ccc(cc2)C)=Cc2c(O1)c(OCC)ccc2)(OC)=O |
| Title of publication | [<i>N</i>'-(3-Ethoxy-2-oxidobenzylidene-κ<i>O</i>^2^)-4-methylbenzohydrazidato-κ^2^<i>O</i>,<i>N</i>'](methanolato-κ<i>O</i>)oxidovanadium(V) |
| Authors of publication | Wang, Chen-Yi; Wu, Xiang; Cao, Feng; Yuan, Cai-Jun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | m1538 |
| a | 7.6954 ± 0.0016 Å |
| b | 28.345 ± 0.003 Å |
| c | 8.3877 ± 0.0018 Å |
| α | 90° |
| β | 105.175 ± 0.002° |
| γ | 90° |
| Cell volume | 1765.8 ± 0.6 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0672 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.1009 |
| Weighted residual factors for all reflections included in the refinement | 0.1098 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181244 (current) | 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 2/23/22. |
2232288.cif 2232288.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. |
2232288.cif 2232288.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232288.cif 2232288.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. | 2232288.cif 2232288.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232288.cif 2232288.hkl |
| 30943 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232288 via cif-deposit CGI script. |
2232288.cif |
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Users of the data should acknowledge the original authors of the
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