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Information card for entry 4342332
Preview
| Coordinates | 4342332.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H56 N6 O23 Pd2 V6 |
|---|---|
| Calculated formula | C38 H56 N6 O23 Pd2 V6 |
| SMILES | c1cccc2[n]1[Pd]1([n]3c(N2)cccc3)OC(=CC(=[O]1)C)C.O=[V]1234[O](C)[V]567(O[V]89%10(=O)[O](C)[V]%11%12(O2)(=O)[O]359([V]([O]1C)(O%11)([O]7C)(=O)[O]%10C)[V]([O]8C)(O6)([O]%12C)(=O)[O]4C)=O.c1cccc2Nc3[n](cccc3)[Pd]3([n]12)OC(=CC(=[O]3)C)C |
| 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 | 10.686 ± 0.004 Å |
| b | 10.79 ± 0.004 Å |
| c | 12.571 ± 0.005 Å |
| α | 89.876 ± 0.007° |
| β | 75.108 ± 0.006° |
| γ | 85.398 ± 0.007° |
| Cell volume | 1396 ± 0.9 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.1171 |
| Residual factor for significantly intense reflections | 0.0805 |
| Weighted residual factors for significantly intense reflections | 0.2246 |
| Weighted residual factors for all reflections included in the refinement | 0.2679 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| 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. |
4342332.cif |
| 132801 | 2015-03-04 | cif/ Updating files of 4342328, 4342329, 4342330, 4342331, 4342332 Original log message: Adding full bibliography for 4342328--4342332.cif. |
4342332.cif |
| 131152 | 2015-02-05 | cif/ Adding structures of 4342332 via cif-deposit CGI script. |
4342332.cif |
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