Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7242150
Preview
| Coordinates | 7242150.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C56 H50 F6 N6 Ni |
|---|---|
| Calculated formula | C56 H50 F6 N6 Ni |
| Title of publication | Pseudo-octahedral nickel(ii) complexes of strongly absorbing benzannulated pincer-type amido ligands: ligand-based redox and non-Aufbau electronic behaviour |
| Authors of publication | Braun, Jason D.; Lozada, Issiah B.; Shepit, Michael; van Lierop, Johan; Herbert, David E. |
| Journal of publication | RSC Advances |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 6 |
| Pages of publication | 3547 - 3555 |
| a | 11.9342 ± 0.0006 Å |
| b | 14.6616 ± 0.0007 Å |
| c | 16.6289 ± 0.0008 Å |
| α | 113.683 ± 0.002° |
| β | 90.763 ± 0.002° |
| γ | 113.819 ± 0.002° |
| Cell volume | 2383.5 ± 0.2 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150.01 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 | 0.0715 |
| Residual factor for significantly intense reflections | 0.0511 |
| Weighted residual factors for significantly intense reflections | 0.1088 |
| Weighted residual factors for all reflections included in the refinement | 0.1191 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7242150.cif |
| 261082 | 2021-01-20 | cif/ Adding structures of 7242150, 7242151 via cif-deposit CGI script. |
7242150.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.