Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4087607
Preview
| Coordinates | 4087607.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C65.04 H66.09 B Cl2 F24 Ir N3 O3.02 P |
|---|---|
| Calculated formula | C65.036 H66.09 B Cl2 F24 Ir N3 O3.018 P |
| Title of publication | Reactivity of an Unsaturated Iridium(III) Phosphoramidate Complex, [Cp*Ir{κ2-N,O}][BArF4] |
| Authors of publication | Drover, Marcus W.; Johnson, Heather C.; Schafer, Laurel L.; Love, Jennifer A.; Weller, Andrew S. |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 15 |
| Pages of publication | 3849 |
| a | 17.9224 ± 0.001 Å |
| b | 24.6821 ± 0.0012 Å |
| c | 31.866 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 14096.3 ± 1.3 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 K |
| Number of distinct elements | 9 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0991 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for significantly intense reflections | 0.0939 |
| Weighted residual factors for all reflections included in the refinement | 0.1113 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236869 (current) | 2019-11-24 | cif/ Adding structures of 4087604, 4087605, 4087606, 4087607 via cif-deposit CGI script. |
4087607.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.