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CIF Information Card
Information card for 4114410
4114409 << 4114410 >> 4114411Preview
|
Coordinates |
4114410.cif |
Structure parameters
| Formula | - C21 H30 Ir N O4 - |
| Calculated formula | - C21 H30 Ir N O4 - |
| Title of publication | Alkane C-H Activation and Catalysis by an O-Donor Ligated Iridium Complex |
| Authors of publication | Antek G. Wong-Foy; Gaurav Bhalla; Xiang Yang Liu; Roy A. Periana |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2003 |
| Journal volume | 125 |
| Pages of publication | 14292 - 14293 |
| a | 16.0199 ± 0.0018 Å |
| b | 11.1848 ± 0.0013 Å |
| c | 12.1863 ± 0.0014 Å |
| α | 90° |
| β | 102.917 ± 0.002° |
| γ | 90° |
| Cell volume | 2128.3 ± 0.4 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | C 1 2/m 1 |
| Hall symmetry space group | -C 2y |
| Residual factor for all reflections | 0.0471 |
| Residual factor for observed reflections | 0.0382 |
| Weighted residual factors for the observed reflections | 0.0719 |
| Weighted residual factors for all reflections included in the refinement | 0.074 |
| Goodness-of-fit parameter for observed reflections | 1.244 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |