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Information card for entry 4342329
Preview
| Coordinates | 4342329.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H58 N6 O24 Pd2 V6 |
|---|---|
| Calculated formula | C38 H58 N6 O24 Pd2 V6 |
| SMILES | [Pd]12([n]3ccccc3Nc3[n]2cccc3)OC(=CC(=[O]1)C)C.[Pd]12(OC(=CC(=[O]1)C)C)[n]1c(Nc3[n]2cccc3)cccc1.[V]1234(O[V]567(O[V]89(=O)(O[V]%10%11([O]2C)([O]([V]2(O[V]([O]5C)([O]%10C)(=O)([O]8C)[O]2469%11)([O]1C)([O]7C)=O)C)=O)[O]3C)=O)=O.O |
| Title of publication | Four alkoxohexavanadate-based pd-polyoxovanadates as robust heterogeneous catalysts for oxidation of benzyl-alkanes. |
| Authors of publication | Li, Ji-Kun; Huang, Xian-Qiang; Yang, Song; Ma, Hong-Wei; Chi, Ying-Nan; Hu, Chang-Wen |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 4 |
| Pages of publication | 1454 - 1461 |
| a | 15.949 ± 0.004 Å |
| b | 24.934 ± 0.006 Å |
| c | 13.822 ± 0.003 Å |
| α | 90° |
| β | 98.513 ± 0.004° |
| γ | 90° |
| Cell volume | 5436 ± 2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.1552 |
| Residual factor for significantly intense reflections | 0.0842 |
| Weighted residual factors for significantly intense reflections | 0.2286 |
| Weighted residual factors for all reflections included in the refinement | 0.2849 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179526 (current) | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/23. |
4342329.cif |
| 132801 | 2015-03-04 | cif/ Updating files of 4342328, 4342329, 4342330, 4342331, 4342332 Original log message: Adding full bibliography for 4342328--4342332.cif. |
4342329.cif |
| 131149 | 2015-02-05 | cif/ Adding structures of 4342329 via cif-deposit CGI script. |
4342329.cif |
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