Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1575817
Preview
| Coordinates | 1575817.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H26 Br4 Fe2 N6 |
|---|---|
| Calculated formula | C30 H26 Br4 Fe2 N6 |
| Title of publication | Syn-selective hydrosilylation and hydroboration of alkynes at room temperature catalyzed by a phosphine-free (NNN)Fe(II) complex |
| Authors of publication | Pradhan, Chandini; Dubey, Shivansh; Samal, Pragnya Paramita; Krishnamurty, Sailaja; Punji, Benudhar |
| Journal of publication | Catalysis Science & Technology |
| Year of publication | 2025 |
| a | 14.985 ± 0.007 Å |
| b | 11.002 ± 0.005 Å |
| c | 20.12 ± 0.009 Å |
| α | 90° |
| β | 102.416 ± 0.011° |
| γ | 90° |
| Cell volume | 3240 ± 3 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.2209 |
| Residual factor for significantly intense reflections | 0.0896 |
| Weighted residual factors for significantly intense reflections | 0.1901 |
| Weighted residual factors for all reflections included in the refinement | 0.2476 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302178 (current) | 2025-09-19 | cif/ Adding structures of 1575817 via cif-deposit CGI script. |
1575817.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.