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Information card for entry 4331573
Preview
| Coordinates | 4331573.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H17 N4 O5 V |
|---|---|
| Calculated formula | C19 H17 N4 O5 V |
| SMILES | [V]12(=O)(=O)Oc3ccccc3C=[N]1N=C(O2)c1ccccc1O.c1c[nH+]ccc1N |
| Title of publication | Synthesis, Reactivity, and X-ray Crystal Structure of Some Mixed-Ligand Oxovanadium(V) Complexes: First Report of Binuclear Oxovanadium(V) Complexes Containing 4,4‘-Bipyridine Type Bridge |
| Authors of publication | Sutradhar, Manas; Mukherjee, Gurunath; Drew, Michael G. B.; Ghosh, Saktiprosad |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2006 |
| Journal volume | 45 |
| Journal issue | 13 |
| Pages of publication | 5150 - 5161 |
| a | 9.662 ± 0.012 Å |
| b | 10.443 ± 0.012 Å |
| c | 10.64 ± 0.012 Å |
| α | 89.4 ± 0.01° |
| β | 63.54 ± 0.01° |
| γ | 88.4 ± 0.01° |
| Cell volume | 961 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0615 |
| Residual factor for significantly intense reflections | 0.0476 |
| Weighted residual factors for significantly intense reflections | 0.1089 |
| Weighted residual factors for all reflections included in the refinement | 0.1152 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4331573.cif |
| 179418 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/15. |
4331573.cif |
| 97716 | 2014-01-29 | cif/ Adding structures of 4331573 via cif-deposit CGI script. |
4331573.cif |
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Users of the data should acknowledge the original authors of the
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