Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7708589
Preview
| Coordinates | 7708589.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H36 Br8 Cl Ge N O4 |
|---|---|
| Calculated formula | C28 H36 Br8 Cl Ge N O4 |
| SMILES | [Ge]12(Cl)(Oc3c(O1)c(c(c(c3Br)Br)Br)Br)Oc1c(O2)c(c(c(c1Br)Br)Br)Br.[N+](CCCC)(CCCC)(CCCC)CCCC |
| Title of publication | Assessing the Lewis Acidity and Catalytic Activity of Bis(catecholato)germanes |
| Authors of publication | Henry, Andrew Timothy; Cosby, Taylor P. L.; Boyle, Paul D.; Baines, Kim M. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2021 |
| a | 9.864 ± 0.005 Å |
| b | 11.942 ± 0.006 Å |
| c | 16.473 ± 0.007 Å |
| α | 84.984 ± 0.01° |
| β | 88.202 ± 0.008° |
| γ | 73.534 ± 0.013° |
| Cell volume | 1853.7 ± 1.5 Å3 |
| Cell temperature | 223 K |
| Ambient diffraction temperature | 223 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0462 |
| Residual factor for significantly intense reflections | 0.0275 |
| Weighted residual factors for significantly intense reflections | 0.0518 |
| Weighted residual factors for all reflections included in the refinement | 0.0571 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270041 (current) | 2021-10-20 | cif/ Adding structures of 7708588, 7708589, 7708590 via cif-deposit CGI script. |
7708589.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.