Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4514025
Preview
| Coordinates | 4514025.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C52 H69 B N O3.5 Si Sn |
|---|---|
| Calculated formula | C52 H69 B N O3.5 Si Sn |
| Title of publication | Efficient Reduction of Carbon Dioxide to Methanol Equivalents Catalyzed by Two-Coordinate Amido–Germanium(II) and −Tin(II) Hydride Complexes |
| Authors of publication | Hadlington, Terrance J.; Kefalidis, Christos E.; Maron, Laurent; Jones, Cameron |
| Journal of publication | ACS Catalysis |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 3 |
| Pages of publication | 1853 |
| a | 10.1191 ± 0.0004 Å |
| b | 12.9066 ± 0.0005 Å |
| c | 18.7646 ± 0.0007 Å |
| α | 88.763 ± 0.003° |
| β | 86.92 ± 0.003° |
| γ | 85.612 ± 0.003° |
| Cell volume | 2439.63 ± 0.16 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 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 | 0.0526 |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for significantly intense reflections | 0.1009 |
| Weighted residual factors for all reflections included in the refinement | 0.1086 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4514025.cif |
| 193399 | 2017-03-04 | cif/ Updating files of 4514024, 4514025, 4514026 Original log message: Adding full bibliography for 4514024--4514026.cif. |
4514025.cif |
| 191947 | 2017-02-10 | cif/ Adding structures of 4514025 via cif-deposit CGI script. |
4514025.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.