Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7123657
Preview
| Coordinates | 7123657.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H66 Mg N2 O4 S3 |
|---|---|
| Calculated formula | C43 H66 Mg N2 O4 S3 |
| Title of publication | Lewis base-complexed magnesium dithiolenes |
| Authors of publication | Wang, Yuzhong; Maxi, Nirva A.; Xie, Yaoming; Wei, Pingrong; Schaefer, Henry F.; Robinson, Gregory |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 13.3056 ± 0.0006 Å |
| b | 13.807 ± 0.0007 Å |
| c | 12.8135 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2353.97 ± 0.19 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0788 |
| Residual factor for significantly intense reflections | 0.0519 |
| Weighted residual factors for significantly intense reflections | 0.1236 |
| Weighted residual factors for all reflections included in the refinement | 0.1372 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215988 (current) | 2019-06-15 | cif/ Adding structures of 7123656, 7123657, 7123658 via cif-deposit CGI script. |
7123657.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.