Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7002746
Preview
| Coordinates | 7002746.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | diethoxo-μ-oxo-dioxobis[2-(5-phenylamino-[1,3,4]thiadiazol-2-yl)-phenolato]divanadium(V) |
|---|---|
| Formula | C32 H30 N6 O7 S2 V2 |
| Calculated formula | C32 H30 N6 O7 S2 V2 |
| SMILES | c12c(cccc1)c1[n]3[n](c(Nc4ccccc4)s1)[V]14([n]5c(c6c(cccc6)O4)sc([n]5[V]3(O1)(=O)(O2)OCC)Nc1ccccc1)(=O)OCC |
| Title of publication | Vanadium-induced formation of thiadiazole and thiazoline compounds. Mononuclear and dinuclear oxovanadium(v) complexes with open-chain and cyclized thiosemicarbazone ligands |
| Authors of publication | Rubčić, Mirta; Milić, Dalibor; Horvat, Gordan; Đilović, Ivica; Galić, Nives; Tomišić, Vladislav; Cindrić, Marina |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 44 |
| Pages of publication | 9914 - 9923 |
| a | 11.491 ± 0.0009 Å |
| b | 11.8518 ± 0.0009 Å |
| c | 14.7813 ± 0.0013 Å |
| α | 92.462 ± 0.007° |
| β | 100.455 ± 0.007° |
| γ | 118.288 ± 0.008° |
| Cell volume | 1723.8 ± 0.3 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 | 0.1885 |
| Residual factor for significantly intense reflections | 0.0588 |
| Weighted residual factors for significantly intense reflections | 0.0959 |
| Weighted residual factors for all reflections included in the refinement | 0.1126 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.711 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7002746.cif |
| 179731 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/27. |
7002746.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7002746.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7002746.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7002746.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.