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Information card for entry 4515770
Preview
| Coordinates | 4515770.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H28 Cl Ir P2 |
|---|---|
| Calculated formula | C14 H28 Cl Ir P2 |
| Title of publication | Rational Design of a Catalyst for the Selective Monoborylation of Methane |
| Authors of publication | Ahn, Seihwan; Sorsche, Dieter; Berritt, Simon; Gau, Michael R.; Mindiola, Daniel J.; Baik, Mu-Hyun |
| Journal of publication | ACS Catalysis |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 11 |
| Pages of publication | 10021 |
| a | 7.1256 ± 0.0002 Å |
| b | 13.4641 ± 0.0004 Å |
| c | 8.7896 ± 0.0003 Å |
| α | 90° |
| β | 102.373 ± 0.001° |
| γ | 90° |
| Cell volume | 823.69 ± 0.04 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0194 |
| Residual factor for significantly intense reflections | 0.0163 |
| Weighted residual factors for significantly intense reflections | 0.034 |
| Weighted residual factors for all reflections included in the refinement | 0.0349 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 225895 (current) | 2019-11-10 | cif/ Adding structures of 4515770 via cif-deposit CGI script. |
4515770.cif |
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