Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7708229
Preview
| Coordinates | 7708229.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3.71 H2.86 N0.29 O0.29 Se0.29 |
|---|---|
| Calculated formula | C3.71429 H2.85714 N0.285714 O0.285714 Se0.285714 |
| Title of publication | Janus-Faced Oxidant and Antioxidant Profiles of Organo Diselenides |
| Authors of publication | Upadhyay, Aditya; Jha, Raushan Kumar; BATABYAL, MONOJIT; Dutta, Tanoy; Koner, Apurba Lal; Kumar, Sangit |
| Journal of publication | Dalton Transactions |
| Year of publication | 2021 |
| a | 12.5499 ± 0.0008 Å |
| b | 12.6715 ± 0.0007 Å |
| c | 16.6217 ± 0.0011 Å |
| α | 68.735 ± 0.002° |
| β | 68.016 ± 0.002° |
| γ | 89.905 ± 0.002° |
| Cell volume | 2256.5 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1097 |
| Residual factor for significantly intense reflections | 0.0601 |
| Weighted residual factors for significantly intense reflections | 0.1199 |
| Weighted residual factors for all reflections included in the refinement | 0.1421 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.984 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269037 (current) | 2021-09-08 | cif/ Adding structures of 7708227, 7708228, 7708229, 7708230, 7708231, 7708232 via cif-deposit CGI script. |
7708229.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.