Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4086159
Preview
| Coordinates | 4086159.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C92 H102 Ge2 N4 O2 Si2 |
|---|---|
| Calculated formula | C92 H102 Ge2 N4 O2 Si2 |
| SMILES | c1(c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)N([Ge]N(c1ccccc1)N(c1ccccc1)[Ge]N(c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)[Si](C)(C)C)[Si](C)(C)C.O(CC)CC.O(CC)CC |
| Title of publication | Reactivity of Amido-Digermynes, LGeGeL (L = Bulky Amide), toward Olefins and Related Molecules: Facile Reduction, C–H Activation, and Reversible Cycloaddition of Unsaturated Substrates |
| Authors of publication | Hadlington, Terrance J.; Li, Jiaye; Hermann, Markus; Davey, Amelia; Frenking, Gernot; Jones, Cameron |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 13 |
| Pages of publication | 3175 |
| a | 32.6327 ± 0.0012 Å |
| b | 13.2336 ± 0.0004 Å |
| c | 20.1143 ± 0.0008 Å |
| α | 90° |
| β | 113.787 ± 0.004° |
| γ | 90° |
| Cell volume | 7948.4 ± 0.6 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0659 |
| Residual factor for significantly intense reflections | 0.0459 |
| Weighted residual factors for significantly intense reflections | 0.1209 |
| Weighted residual factors for all reflections included in the refinement | 0.1319 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4086159.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4086159.cif |
| 152773 | 2015-08-05 | cif/ Adding structures of 4086152, 4086153, 4086154, 4086155, 4086156, 4086157, 4086158, 4086159, 4086160 via cif-deposit CGI script. |
4086159.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.