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Information card for entry 2235831
Preview
| Coordinates | 2235831.cif |
|---|---|
| Structure factors | 2235831.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Oxido[2-{(<i>E</i>)-[((1<i>E</i>)-{(<i>E</i>)-2-[1-(2- oxidophenyl)ethylidene]hydrazin-1-ylidene}(prop-2-en-1- ylsulfanyl)methyl)imino]methyl}phenolato]vanadium(IV) |
|---|---|
| Formula | C19 H17 N3 O3 S V |
| Calculated formula | C19 H17 N3 O3 S V |
| Title of publication | Oxido[2-{(<i>E</i>)-[((1<i>E</i>)-{(<i>E</i>)-2-[1-(2-oxidophenyl)ethylidene]hydrazin-1-ylidene}(prop-2-en-1-ylsulfanyl)methyl)imino]methyl}phenolato]vanadium(IV) |
| Authors of publication | Takjoo, Reza; Ng, Seik Weng; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 8 |
| Pages of publication | m1033 - m1034 |
| a | 7.1242 ± 0.0003 Å |
| b | 9.5605 ± 0.0005 Å |
| c | 14.2593 ± 0.0009 Å |
| α | 76.083 ± 0.005° |
| β | 75.577 ± 0.004° |
| γ | 74.821 ± 0.004° |
| Cell volume | 891.68 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0859 |
| Residual factor for significantly intense reflections | 0.0756 |
| Weighted residual factors for significantly intense reflections | 0.1851 |
| Weighted residual factors for all reflections included in the refinement | 0.1906 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.203 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
2235831.cif 2235831.hkl |
| 181280 | 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 2/23/58. |
2235831.cif 2235831.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. |
2235831.cif 2235831.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235831.cif 2235831.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. | 2235831.cif 2235831.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235831.cif 2235831.hkl |
| 65886 | 2012-09-06 | cif/ Adding structures of 2235831 via cif-deposit CGI script. |
2235831.cif |
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Users of the data should acknowledge the original authors of the
structural data.