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Information card for entry 7002748
Preview
| Coordinates | 7002748.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | μ-oxo-dioxobis[2-(5-phenylamino-[1,3,4]thiadiazol-2-yl)-phenolato]-dipropoxo-divanadium(V) propanol hemisolvate |
|---|---|
| Formula | C35.5 H38 N6 O7.5 S2 V2 |
| Calculated formula | C35.5 H38 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 | 13.4762 ± 0.0005 Å |
| b | 17.2325 ± 0.0007 Å |
| c | 17.0544 ± 0.0006 Å |
| α | 90° |
| β | 101.835 ± 0.004° |
| γ | 90° |
| Cell volume | 3876.3 ± 0.3 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1066 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.0807 |
| Weighted residual factors for all reflections included in the refinement | 0.0999 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.866 |
| 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. |
7002748.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. |
7002748.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7002748.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7002748.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7002748.cif |
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