Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1560857
Preview
| Coordinates | 1560857.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C41 H49 Cl Ge N O P Si |
|---|---|
| Calculated formula | C41 H49 Cl Ge N O P Si |
| SMILES | [Ge]1([P](c2ccccc2)(C[Si](N1c1c(C(C)C)cccc1C(C)C)(c1ccccc1)c1ccccc1)c1ccccc1)Cl.O(CC)CC |
| Title of publication | Reversible metathesis of ammonia in an acyclic germylene–Ni0 complex |
| Authors of publication | Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J. |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| Journal volume | 12 |
| Journal issue | 15 |
| Pages of publication | 5582 - 5590 |
| a | 11.25 ± 0.002 Å |
| b | 17.78 ± 0.004 Å |
| c | 20.52 ± 0.004 Å |
| α | 88.3 ± 0.03° |
| β | 75.7 ± 0.03° |
| γ | 73.3 ± 0.03° |
| Cell volume | 3805.8 ± 1.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0923 |
| Residual factor for significantly intense reflections | 0.0504 |
| Weighted residual factors for significantly intense reflections | 0.1136 |
| Weighted residual factors for all reflections included in the refinement | 0.1315 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301787 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/56 Each referenced PubChem compound corresponds to the full crystal structure. |
1560857.cif |
| 265933 | 2021-06-05 | cif/ Updating files of 1560843, 1560844, 1560845, 1560846, 1560847, 1560848, 1560849, 1560850, 1560851, 1560852, 1560853, 1560854, 1560855, 1560856, 1560857 Original log message: Adding full bibliography for 1560843--1560857.cif. |
1560857.cif |
| 262780 | 2021-03-06 | cif/ Adding structures of 1560843, 1560844, 1560845, 1560846, 1560847, 1560848, 1560849, 1560850, 1560851, 1560852, 1560853, 1560854, 1560855, 1560856, 1560857 via cif-deposit CGI script. |
1560857.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.