Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4088420
Preview
| Coordinates | 4088420.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47.72 H46 Br2 Cu2 Fe2 N2 O2 |
|---|---|
| Calculated formula | C47.72 H46 Br2 Cu2 Fe2 N2 O2 |
| Title of publication | Unprecedented Formation of π-Copper Complexes during Sonogashira Coupling: Synthesis of a Unique, Recyclable, Ethynyl Ferrocene Derived Cu(I) Specific Ligand |
| Authors of publication | Deb, Mayukh; Kumar, Dheeraj; Singh, Jatinder; Elias, Anil J. |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 8 |
| Pages of publication | 1086 |
| a | 8.846 ± 0.003 Å |
| b | 11.295 ± 0.004 Å |
| c | 12.422 ± 0.004 Å |
| α | 72.46 ± 0.007° |
| β | 73.915 ± 0.006° |
| γ | 70.961 ± 0.007° |
| Cell volume | 1096.5 ± 0.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.107 |
| Residual factor for significantly intense reflections | 0.0614 |
| Weighted residual factors for significantly intense reflections | 0.1177 |
| Weighted residual factors for all reflections included in the refinement | 0.1356 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.96 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237553 (current) | 2019-11-24 | cif/ Adding structures of 4088419, 4088420, 4088421 via cif-deposit CGI script. |
4088420.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.