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Information card for entry 2231602
Preview
| Coordinates | 2231602.cif |
|---|---|
| Structure factors | 2231602.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | [3-Chloro-<i>N</i>'-(2-oxidonaphthalen-1- ylmethylidene)benzohydrazidato]methanol(methanolato)oxidovanadium(V) |
|---|---|
| Formula | C20 H18 Cl N2 O5 V |
| Calculated formula | C20 H18 Cl N2 O5 V |
| SMILES | [V]12([N](N=C(O2)c2cc(Cl)ccc2)=Cc2c(O1)ccc1ccccc21)(OC)([OH]C)=O |
| Title of publication | [3-Chloro-<i>N</i>'-(2-oxidonaphthalen-1-ylmethylidene)benzohydrazidato]methanol(methanolato)oxidovanadium(V) |
| Authors of publication | Wang, Fu-Ming |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 9 |
| Pages of publication | m1254 |
| a | 12.872 ± 0.003 Å |
| b | 7.613 ± 0.002 Å |
| c | 20.695 ± 0.003 Å |
| α | 90° |
| β | 98.931 ± 0.003° |
| γ | 90° |
| Cell volume | 2003.4 ± 0.8 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0676 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.0962 |
| Weighted residual factors for all reflections included in the refinement | 0.109 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| 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. |
2231602.cif 2231602.hkl |
| 181238 | 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 2/23/16. |
2231602.cif 2231602.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. |
2231602.cif 2231602.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231602.cif 2231602.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. | 2231602.cif 2231602.hkl |
| 27934 | 2011-10-07 | hkl/ Ading Fonst files assigned to the recently deposited IUCr coordinates. |
2231602.cif 2231602.hkl |
| 27732 | 2011-10-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2231602 via cif-deposit CGI script. |
2231602.cif |
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Users of the data should acknowledge the original authors of the
structural data.