Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1550682
Preview
| Coordinates | 1550682.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H33 Bi F3 N5 O3 S |
|---|---|
| Calculated formula | C37 H33 Bi F3 N5 O3 S |
| Title of publication | Carbon Monoxide Insertion at a Heavy p-Block Element: Unprecedented Formation of a Cationic Bismuth Carbamoyl |
| Authors of publication | Ramler, Jacqueline; Poater, Jordi; Hrisch, Florian; Ritschel, Benedikt; Fischer, Ingo; Bickelhaupt, F. Matthias; Lichtenberg, Crispin |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 11.2452 ± 0.0006 Å |
| b | 16.0336 ± 0.0007 Å |
| c | 19.9108 ± 0.0011 Å |
| α | 90° |
| β | 96.575 ± 0.002° |
| γ | 90° |
| Cell volume | 3566.3 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| 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 | 0.0361 |
| Residual factor for significantly intense reflections | 0.0316 |
| Weighted residual factors for significantly intense reflections | 0.0673 |
| Weighted residual factors for all reflections included in the refinement | 0.0687 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.221 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213905 (current) | 2019-03-01 | cif/ Adding structures of 1550681, 1550682, 1550683, 1550684 via cif-deposit CGI script. |
1550682.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.