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Information card for entry 1551875
Preview
| Coordinates | 1551875.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H46 Ir N5 P2 |
|---|---|
| Calculated formula | C29 H46 Ir N5 P2 |
| SMILES | [Ir]123([P](Nc4nc(nc([n]24)N=P1(C(C)C)C(C)C)c1ccccc1)(C(C)C)C(C)C)[CH]1=[CH]3CCC=CCC1 |
| Title of publication | A sustainable catalytic pyrrole synthesis |
| Authors of publication | Stefan Michlik; Rhett Kempe |
| Journal of publication | Nature Chemistry |
| Year of publication | 2013 |
| Journal volume | 5 |
| Pages of publication | 140 - 144 |
| a | 19.853 ± 0.0011 Å |
| b | 42.232 ± 0.002 Å |
| c | 14.782 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 12393.7 ± 1.4 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.081 |
| Residual factor for significantly intense reflections | 0.0641 |
| Weighted residual factors for significantly intense reflections | 0.1434 |
| Weighted residual factors for all reflections included in the refinement | 0.1499 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.98 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216516 (current) | 2019-06-25 | cif/ Adding structures of 1551875 via cif-deposit CGI script. |
1551875.cif |
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