Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7714197
Preview
| Coordinates | 7714197.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H28 B Br N P |
|---|---|
| Calculated formula | C20 H28 B Br N P |
| Title of publication | Phosphinoborenium cations stabilized by N-heterocyclic carbenes: synthesis, structure, and reactivity |
| Authors of publication | Kaniewska-Laskowska, Kinga; Ordyszewska, Anna; Wojnowski, Tomasz; Halenka, Hanna; Czapla, Marcin; Chojnacki, Jarosław; Grubba, Rafał |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 12.3679 ± 0.0009 Å |
| b | 12.3039 ± 0.0008 Å |
| c | 14.0443 ± 0.0011 Å |
| α | 90° |
| β | 105.345 ± 0.006° |
| γ | 90° |
| Cell volume | 2061 ± 0.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 6 |
| 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 | 0.0572 |
| Residual factor for significantly intense reflections | 0.0372 |
| Weighted residual factors for significantly intense reflections | 0.0847 |
| Weighted residual factors for all reflections included in the refinement | 0.0917 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286943 (current) | 2023-10-13 | cif/ Adding structures of 7714195, 7714196, 7714197, 7714198 via cif-deposit CGI script. |
7714197.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.