Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7113370
Preview
| Coordinates | 7113370.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C31 H26 Mo N O7 P |
|---|---|
| Calculated formula | C31 H26 Mo N O7 P |
| SMILES | [N]1(=Cc2c(O[Mo]341(OO3)(OO4)=O)cccc2)O.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Highly efficient epoxidation method of olefins with hydrogen peroxide as terminal oxidant, bicarbonate as a co-catalyst and oxodiperoxo molybdenum(VI) complex as catalyst. |
| Authors of publication | Gharah, Narottam; Chakraborty, Santu; Mukherjee, Alok K.; Bhattacharyya, Ramgopal |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2004 |
| Journal issue | 22 |
| Pages of publication | 2630 - 2632 |
| a | 9.6369 ± 0.001 Å |
| b | 10.6748 ± 0.001 Å |
| c | 13.3547 ± 0.001 Å |
| α | 97.326 ± 0.01° |
| β | 90.017 ± 0.01° |
| γ | 91.081 ± 0.01° |
| Cell volume | 1362.4 ± 0.2 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 | 0.0328 |
| Residual factor for significantly intense reflections | 0.0312 |
| Weighted residual factors for significantly intense reflections | 0.0794 |
| Weighted residual factors for all reflections included in the refinement | 0.0805 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7113370.cif |
| 180247 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/33. |
7113370.cif |
| 114603 | 2014-05-28 | cif/ Adding structures of 7113370 via cif-deposit CGI script. |
7113370.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.