Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1566941
Preview
| Coordinates | 1566941.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C74 H128 O3 Tm2 |
|---|---|
| Calculated formula | C74 H128 O3 Tm2 |
| Title of publication | CO reductive oligomerization by a divalent thulium complex and CO2-induced functionalization |
| Authors of publication | Simler, Thomas; McCabe, Karl Nael; Maron, Laurent; Nocton, Grégory |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 18.6229 ± 0.0011 Å |
| b | 10.3489 ± 0.0005 Å |
| c | 19.6817 ± 0.0012 Å |
| α | 90° |
| β | 111.234 ± 0.003° |
| γ | 90° |
| Cell volume | 3535.7 ± 0.4 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.0434 |
| Residual factor for significantly intense reflections | 0.0259 |
| Weighted residual factors for significantly intense reflections | 0.0502 |
| Weighted residual factors for all reflections included in the refinement | 0.0559 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275283 (current) | 2022-05-10 | cif/ Adding structures of 1566938, 1566939, 1566940, 1566941, 1566942, 1566943, 1566944, 1566945, 1566946 via cif-deposit CGI script. |
1566941.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.