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Information card for entry 4087904
Preview
| Coordinates | 4087904.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66.5 H61 B Cl F24 Ir N6 O7 |
|---|---|
| Calculated formula | C66.5 H61 B Cl F24 Ir N6 O7 |
| Title of publication | Rhodium(I) and Iridium(I) Complexes of the Conformationally Rigid IBioxMe4 Ligand: Computational and Experimental Studies of Unusually Tilted NHC Coordination Geometries |
| Authors of publication | Luy, Jan-Niclas; Hauser, Simone A.; Chaplin, Adrian B.; Tonner, Ralf |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 20 |
| Pages of publication | 5099 |
| a | 13.18759 ± 0.00016 Å |
| b | 13.44313 ± 0.00019 Å |
| c | 21.8724 ± 0.0003 Å |
| α | 105.753 ± 0.0013° |
| β | 101.398 ± 0.0012° |
| γ | 93.5564 ± 0.0011° |
| Cell volume | 3630.74 ± 0.09 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0385 |
| Residual factor for significantly intense reflections | 0.0332 |
| Weighted residual factors for significantly intense reflections | 0.081 |
| Weighted residual factors for all reflections included in the refinement | 0.0835 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237109 (current) | 2019-11-24 | cif/ Adding structures of 4087903, 4087904, 4087905 via cif-deposit CGI script. |
4087904.cif |
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Users of the data should acknowledge the original authors of the
structural data.