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Information card for entry 7053012
Preview
| Coordinates | 7053012.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | bis(1,3-diphenylpropane-1,3-dionato)(4,4'- bipyridine)oxovanadium(IV) dimethylsulphoxyde solvate |
|---|---|
| Chemical name | bis(1,3-diphenylpropane-1,3-dionato)(4,4'-bipyridine)oxovanadium(IV) dimethylsulphoxyde solvate |
| Formula | C42 H36 N2 O6 S V |
| Calculated formula | C42 H36 N2 O6 S V |
| Title of publication | VO⋯C interactions in crystal structures of oxovanadium-coordination compounds |
| Authors of publication | Stilinović, Vladimir; Bučar, Dejan-Krešimir; Halasz, Ivan; Meštrović, Ernest |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2013 |
| Journal volume | 37 |
| Journal issue | 3 |
| Pages of publication | 619 |
| a | 10.333 ± 0.002 Å |
| b | 14.007 ± 0.002 Å |
| c | 14.251 ± 0.003 Å |
| α | 77.356 ± 0.015° |
| β | 70.407 ± 0.018° |
| γ | 77.535 ± 0.016° |
| Cell volume | 1873.2 ± 0.6 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.1268 |
| Residual factor for significantly intense reflections | 0.0973 |
| Weighted residual factors for significantly intense reflections | 0.2747 |
| Weighted residual factors for all reflections included in the refinement | 0.3113 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7053012.cif |
| 180084 | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/30. |
7053012.cif |
| 75562 | 2013-03-10 | cif/ Adding structures of 7053011, 7053012 via cif-deposit CGI script. |
7053012.cif |
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Users of the data should acknowledge the original authors of the
structural data.