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Information card for entry 4130100
Preview
| Coordinates | 4130100.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H50 Cl6 Ir N O4 P2 |
|---|---|
| Calculated formula | C28 H50 Cl6 Ir N O4 P2 |
| Title of publication | Reductive Cleavage of CO2 by Metal-Ligand-Cooperation Mediated by an Iridium Pincer Complex. |
| Authors of publication | Feller, Moran; Gellrich, Urs; Anaby, Aviel; Diskin-Posner, Yael; Milstein, David |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 20 |
| Pages of publication | 6445 - 6454 |
| a | 16.6996 ± 0.0004 Å |
| b | 15.2679 ± 0.0003 Å |
| c | 16.3378 ± 0.0004 Å |
| α | 90° |
| β | 116.667 ± 0.003° |
| γ | 90° |
| Cell volume | 3722.52 ± 0.18 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0272 |
| Residual factor for significantly intense reflections | 0.0233 |
| Weighted residual factors for significantly intense reflections | 0.0551 |
| Weighted residual factors for all reflections included in the refinement | 0.0563 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240674 (current) | 2019-11-25 | cif/ Adding structures of 4130098, 4130099, 4130100 via cif-deposit CGI script. |
4130100.cif |
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Users of the data should acknowledge the original authors of the
structural data.