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CIF Information Card
Information card for 7108646
7108645 << 7108646 >> 7108647Preview
|
Coordinates |
7108646.cif |
Structure parameters
| Formula | - C80 H80 B2 F24 Ir N5 - |
| Calculated formula | - C80 H80 B2 F24 Ir N5 - |
| Title of publication | Hydrogen shuttling: synthesis and reactivity of a 14-electron iridium complex featuring a bis(alkyl) tethered N-heterocyclic carbene ligand |
| Authors of publication | Christina Y. Tang; Nicholas Phillips; Michael J. Kelly; Simon Aldridge |
| Journal of publication | Chem.Commun. |
| Year of publication | 2012 |
| Journal volume | 48 |
| Pages of publication | 11999 |
| a | 12.4528 ± 0.0001 Å |
| b | 16.8943 ± 0.0002 Å |
| c | 19.4968 ± 0.0002 Å |
| α | 84.63 ± 0.0004° |
| β | 87.249 ± 0.0004° |
| γ | 89.4415 ± 0.0005° |
| Cell volume | 4079 ± 0.07 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0631 |
| Residual factor for observed reflections | 0.0475 |
| Weighted residual factors for all reflections | 0.11 |
| Weighted residual factors for the observed reflections | 0.1028 |
| Weighted residual factors for all reflections included in the refinement | 0.11 |
| Goodness-of-fit parameter for observed reflections | 0.9901 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |