Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2018222
Preview
| Coordinates | 2018222.cif |
|---|---|
| Structure factors | 2018222.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | {2,2'-[1,1'-(<i>o</i>-phenylenedinitrilo)bis(ethan-1-yl-1- ylidene)]diphenolato}oxovanadium(IV) |
|---|---|
| Formula | C22 H18 N2 O3 V |
| Calculated formula | C22 H18 N2 O3 V |
| SMILES | [V]123(Oc4ccccc4C(=[N]2c2ccccc2[N]3=C(C)c2ccccc2O1)C)=O |
| Title of publication | A vanadyl Schiff base complex: {2,2'-[1,1'-(<i>o</i>-phenylenedinitrilo)bis(ethan-1-yl-1-ylidene)]diphenolato}oxovanadium(IV) |
| Authors of publication | Kurzak, Krzysztof; Ejsmont, Krzysztof; Koprek, Katarzyna |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 9 |
| Pages of publication | m287 - m289 |
| a | 9.3715 ± 0.0002 Å |
| b | 14.2178 ± 0.0002 Å |
| c | 13.8932 ± 0.0002 Å |
| α | 90° |
| β | 102.867 ± 0.002° |
| γ | 90° |
| Cell volume | 1804.68 ± 0.05 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0266 |
| Residual factor for significantly intense reflections | 0.0239 |
| Weighted residual factors for significantly intense reflections | 0.072 |
| Weighted residual factors for all reflections included in the refinement | 0.0731 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301798 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/01 Each referenced PubChem compound corresponds to the full crystal structure. |
2018222.cif 2018222.hkl |
| 180851 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/82. |
2018222.cif 2018222.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018222.cif 2018222.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018222.cif 2018222.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. | 2018222.cif 2018222.hkl |
| 27934 | 2011-10-07 | hkl/ Ading Fonst files assigned to the recently deposited IUCr coordinates. |
2018222.cif 2018222.hkl |
| 27711 | 2011-10-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2018222 via cif-deposit CGI script. |
2018222.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.