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Information card for entry 4111508
Preview
| Coordinates | 4111508.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H76 F12 N8 O4 P2 Rh2 |
|---|---|
| Calculated formula | C48 H76 F12 N8 O4 P2 Rh2 |
| Title of publication | Interaction of a Bulky N-Heterocyclic Carbene Ligand with Rh(I) and Ir(I). Double C-H Activation and Isolation of Bare 14-Electron Rh(III) and Ir(III) Complexes |
| Authors of publication | Natalie M. Scott; Reto Dorta; Edwin D. Stevens; Andrea Correa; Luigi Cavallo; Steven P. Nolan |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2005 |
| Journal volume | 127 |
| Pages of publication | 3516 - 3526 |
| a | 10.2573 ± 0.0005 Å |
| b | 11.709 ± 0.0006 Å |
| c | 13.3613 ± 0.0007 Å |
| α | 106.38 ± 0.001° |
| β | 102.221 ± 0.001° |
| γ | 103.372 ± 0.001° |
| Cell volume | 1430.43 ± 0.13 Å3 |
| Cell temperature | 396 ± 2 K |
| Ambient diffraction temperature | 396 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0415 |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for significantly intense reflections | 0.0852 |
| Weighted residual factors for all reflections included in the refinement | 0.0868 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.129 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301833 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
4111508.cif |
| 178886 | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/15. |
4111508.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4111508.cif |
| 63108 | 2012-07-18 | cif/ Adding structures of 4111508 via cif-deposit CGI script. |
4111508.cif |
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Users of the data should acknowledge the original authors of the
structural data.