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Information card for entry 4089537
Preview
| Coordinates | 4089537.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48.14 H48.28 B F20 Ir N O2 P3 |
|---|---|
| Calculated formula | C48.138 H48.276 B F20 Ir N O2 P3 |
| Title of publication | A Cationic Terminal Methylene Complex of Ir(I) Supported by a Pincer Ligand |
| Authors of publication | Campos, Jesus; Peloso, Riccardo; Brookhart, Maurice; Carmona, Ernesto |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 32 |
| Journal issue | 11 |
| Pages of publication | 3423 |
| a | 17.7075 ± 0.0003 Å |
| b | 17.6667 ± 0.0004 Å |
| c | 17.8087 ± 0.0004 Å |
| α | 90° |
| β | 102.407 ± 0.001° |
| γ | 90° |
| Cell volume | 5441 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.0471 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.0797 |
| Weighted residual factors for all reflections included in the refinement | 0.0851 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 243675 (current) | 2019-11-26 | cif/ Adding structures of 4089537, 4089538, 4089539 via cif-deposit CGI script. |
4089537.cif |
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Users of the data should acknowledge the original authors of the
structural data.