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Information card for entry 4514053
Preview
| Coordinates | 4514053.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C50 H64 B Ge N O3 Si |
|---|---|
| Calculated formula | C50 H64 B Ge N O3 Si |
| 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 | 9.93 ± 0.002 Å |
| b | 14.88 ± 0.003 Å |
| c | 15.29 ± 0.003 Å |
| α | 91 ± 0.03° |
| β | 91.6 ± 0.03° |
| γ | 98.1 ± 0.03° |
| Cell volume | 2235.3 ± 0.8 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0712 |
| Residual factor for significantly intense reflections | 0.0671 |
| Weighted residual factors for significantly intense reflections | 0.1708 |
| Weighted residual factors for all reflections included in the refinement | 0.1733 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| 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. |
4514053.cif |
| 192846 | 2017-03-03 | cif/ Adding structures of 4514053 via cif-deposit CGI script. |
4514053.cif |
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Users of the data should acknowledge the original authors of the
structural data.