Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4087753
Preview
| Coordinates | 4087753.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H43 B5 F15 N Ni P2 |
|---|---|
| Calculated formula | C50.1185 H39 B F15 N Ni P2 |
| Title of publication | Tuning of Metal Complex Electronics and Reactivity by Remote Lewis Acid Binding to π-Coordinated Pyridine Diphosphine Ligands |
| Authors of publication | Horak, Kyle T.; VanderVelde, David G.; Agapie, Theodor |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 19 |
| Pages of publication | 4753 |
| a | 40.5679 ± 0.0017 Å |
| b | 12.1876 ± 0.0004 Å |
| c | 20.6773 ± 0.0007 Å |
| α | 90° |
| β | 114.405 ± 0.002° |
| γ | 90° |
| Cell volume | 9309.9 ± 0.6 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 99.99 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0593 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.1127 |
| Weighted residual factors for all reflections included in the refinement | 0.1252 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236984 (current) | 2019-11-24 | cif/ Adding structures of 4087753 via cif-deposit CGI script. |
4087753.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.