Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1540747
Preview
| Coordinates | 1540747.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C75.66 H95.66 B2 Cl10.97 F8 N8 Ni2 |
|---|---|
| Calculated formula | C75.657 H95.657 B2 Cl10.971 F8 N8 Ni2 |
| Title of publication | Cationic nickel porphyrinoids with unexpected reactivity |
| Authors of publication | Wicht, Richard; Bahnmüller, Stefanie; Brandhorst, Kai; Schweyen, Peter; Bröring, Martin |
| Journal of publication | Chem. Sci. |
| Year of publication | 2016 |
| Journal volume | 7 |
| Journal issue | 1 |
| Pages of publication | 583 |
| a | 15.0884 ± 0.0011 Å |
| b | 31.4527 ± 0.0015 Å |
| c | 18.2241 ± 0.0014 Å |
| α | 90° |
| β | 104.352 ± 0.007° |
| γ | 90° |
| Cell volume | 8378.7 ± 1 Å3 |
| Cell temperature | 100 ± 0.3 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0946 |
| Residual factor for significantly intense reflections | 0.066 |
| Weighted residual factors for significantly intense reflections | 0.165 |
| Weighted residual factors for all reflections included in the refinement | 0.1844 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 171863 (current) | 2016-01-01 | cif/ Adding structures of 1540747 via cif-deposit CGI script. |
1540747.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.