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Information card for entry 7002747
Preview
| Coordinates | 7002747.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) ethanol hemisolvate |
|---|---|
| Formula | C33 H33 N6 O7.5 S2 V2 |
| Calculated formula | C33 H33 N6 O7.5 S2 V2 |
| 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 | 11.6448 ± 0.0004 Å |
| b | 12.1611 ± 0.0004 Å |
| c | 14.4691 ± 0.0005 Å |
| α | 73.441 ± 0.003° |
| β | 84.791 ± 0.003° |
| γ | 62.827 ± 0.003° |
| Cell volume | 1745.41 ± 0.12 Å3 |
| Cell temperature | 120 ± 1 K |
| Ambient diffraction temperature | 120 ± 1 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 | 0.0525 |
| Residual factor for significantly intense reflections | 0.0349 |
| Weighted residual factors for significantly intense reflections | 0.0878 |
| Weighted residual factors for all reflections included in the refinement | 0.0913 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.96 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7002747.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7002747.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7002747.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7002747.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7002747.cif |
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