Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1556590
Preview
| Coordinates | 1556590.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H44 Cl F6 Ir N3 O1.5 P |
|---|---|
| Calculated formula | C29 H44 Cl F6 Ir N3 O1.5 P |
| Title of publication | Cationic Protic Imidazolylidene NHC Complexes of Cp*IrCl+ and Cp*RhCl+ with a Pyridyl Tether Formed at Ambient Temperature |
| Authors of publication | Grotjahn, D.B.; Martin, J.K.; Tom, T.N.; Rheingold, A.L. |
| Journal of publication | Inorganics |
| Year of publication | 2018 |
| Journal volume | 6 |
| Pages of publication | 27 |
| a | 11.9277 ± 0.0007 Å |
| b | 19.21 ± 0.0011 Å |
| c | 28.2172 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6465.4 ± 0.6 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 8 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0487 |
| Residual factor for significantly intense reflections | 0.0287 |
| Weighted residual factors for significantly intense reflections | 0.0502 |
| Weighted residual factors for all reflections included in the refinement | 0.0563 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245210 (current) | 2019-12-16 | cif/ Adding structures of 1556590 via cif-deposit CGI script. |
1556590.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.