Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4342331
Preview
| Coordinates | 4342331.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H50 N6 O23 Pd2 V6 |
|---|---|
| Calculated formula | C36 H50 N6 O23 Pd2 V6 |
| SMILES | C[O]1[V]234(=O)[O](C)[V]567([O]([V]89(O2)(=O)[O]2%1035[V]3(=O)([O]8C)([O](C)[V]%10(O4)([O](C)[V]12(O3)(=O)O7)(O9)=O)O6)C)=O.c1cccc2Nc3[n](cccc3)[Pd]3([n]12)OC(=CC(=[O]3)C)C.c1cccc2[n]1[Pd]1([n]3c(N2)cccc3)OC(=CC(=[O]1)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 | 10.594 ± 0.002 Å |
| b | 10.709 ± 0.002 Å |
| c | 12.472 ± 0.003 Å |
| α | 89.615 ± 0.007° |
| β | 75.262 ± 0.007° |
| γ | 84.946 ± 0.007° |
| Cell volume | 1362.9 ± 0.5 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 | 0.1172 |
| Residual factor for significantly intense reflections | 0.0615 |
| Weighted residual factors for significantly intense reflections | 0.1474 |
| Weighted residual factors for all reflections included in the refinement | 0.1783 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| 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. |
4342331.cif |
| 132801 | 2015-03-04 | cif/ Updating files of 4342328, 4342329, 4342330, 4342331, 4342332 Original log message: Adding full bibliography for 4342328--4342332.cif. |
4342331.cif |
| 131151 | 2015-02-05 | cif/ Adding structures of 4342331 via cif-deposit CGI script. |
4342331.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.