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Information card for entry 4342330
Preview
| Coordinates | 4342330.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H82 N8 O25 Pd2 V6 |
|---|---|
| Calculated formula | C46 H82 N8 O25 Pd2 V6 |
| SMILES | c1cc(cc[n]1[Pd]1(OC(=CC(=[O]1)C)C)[n]1ccc(N(C)C)cc1)N(C)C.O=[V]1234[O]([V]567([O]89%103[V]3%11(=O)([O]([V]8(O1)(=O)(O[V]%10([O]7C)(=O)([O]4C)[O]%11C)[O]([V]9([O]2C)(O5)(=O)[O]3C)C)C)O6)=O)C.O.CC1=[O][Pd](OC(=C1)C)([n]1ccc(cc1)N(C)C)[n]1ccc(N(C)C)cc1.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 | 10.7283 ± 0.0008 Å |
| b | 11.9106 ± 0.0006 Å |
| c | 13.1328 ± 0.0009 Å |
| α | 86.49 ± 0.005° |
| β | 73.385 ± 0.006° |
| γ | 78.023 ± 0.005° |
| Cell volume | 1573.04 ± 0.19 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.064 |
| Residual factor for significantly intense reflections | 0.0502 |
| Weighted residual factors for significantly intense reflections | 0.138 |
| Weighted residual factors for all reflections included in the refinement | 0.1503 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| 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. |
4342330.cif |
| 132801 | 2015-03-04 | cif/ Updating files of 4342328, 4342329, 4342330, 4342331, 4342332 Original log message: Adding full bibliography for 4342328--4342332.cif. |
4342330.cif |
| 131150 | 2015-02-05 | cif/ Adding structures of 4342330 via cif-deposit CGI script. |
4342330.cif |
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Users of the data should acknowledge the original authors of the
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