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Information card for entry 4089139
Preview
| Coordinates | 4089139.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H36 B Ir O2 P2 |
|---|---|
| Calculated formula | C26 H36 B Ir O2 P2 |
| SMILES | [Ir]12(B(c3c([P]1(C(C)C)C(C)C)cccc3)c1c([P]2(C(C)C)C(C)C)cccc1)(C#[O])C#[O] |
| Title of publication | Synthesis and Characterization of PBP Pincer Iridium Complexes and Their Application in Alkane Transfer Dehydrogenation |
| Authors of publication | Shih, Wei-Chun; Ozerov, Oleg V. |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 36 |
| Journal issue | 1 |
| Pages of publication | 228 |
| a | 11.512 ± 0.007 Å |
| b | 15.357 ± 0.01 Å |
| c | 15.506 ± 0.01 Å |
| α | 90° |
| β | 105.593 ± 0.007° |
| γ | 90° |
| Cell volume | 2640 ± 3 Å3 |
| Cell temperature | 150.15 K |
| Ambient diffraction temperature | 150.15 K |
| Number of distinct elements | 6 |
| 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 | 0.0354 |
| Residual factor for significantly intense reflections | 0.0283 |
| Weighted residual factors for significantly intense reflections | 0.0675 |
| Weighted residual factors for all reflections included in the refinement | 0.0707 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238007 (current) | 2019-11-24 | cif/ Adding structures of 4089138, 4089139 via cif-deposit CGI script. |
4089139.cif |
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Users of the data should acknowledge the original authors of the
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