Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4515588
Preview
| Coordinates | 4515588.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H24 B F12 P |
|---|---|
| Calculated formula | C28 H24 B F12 P |
| Title of publication | Catalytic Dehydrogenation of (Di)Amine-Boranes with a Geometrically Constrained Phosphine-Borane Lewis Pair |
| Authors of publication | Boudjelel, Maxime; Sosa Carrizo, E. Daiann; Mallet−Ladeira, Sonia; Massou, Stéphane; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier |
| Journal of publication | ACS Catalysis |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 5 |
| Pages of publication | 4459 |
| a | 13.414 ± 0.0008 Å |
| b | 13.786 ± 0.0008 Å |
| c | 18.1493 ± 0.001 Å |
| α | 101.69 ± 0.003° |
| β | 106.173 ± 0.002° |
| γ | 109.985 ± 0.002° |
| Cell volume | 2859.7 ± 0.3 Å3 |
| Cell temperature | 102 ± 2 K |
| Ambient diffraction temperature | 102 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0679 |
| Residual factor for significantly intense reflections | 0.0474 |
| Weighted residual factors for significantly intense reflections | 0.1106 |
| Weighted residual factors for all reflections included in the refinement | 0.121 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| 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. |
4515588.cif |
| 225739 | 2019-11-10 | cif/ Adding structures of 4515588, 4515589, 4515590 via cif-deposit CGI script. |
4515588.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.