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Information card for entry 1559269
Preview
| Coordinates | 1559269.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H44 B Ir P2 |
|---|---|
| Calculated formula | C28 H44 B Ir P2 |
| SMILES | [IrH]12345([CH2]=[CH2]2)[P](c2c(cccc2)[B]5([CH]3=[CH2]4)c2c([P]1(C(C)C)C(C)C)cccc2)(C(C)C)C(C)C |
| Title of publication | Reversible Addition of Ethylene to a Pincer-Based Boryl-Iridium Unit with the Formation of a Bridging Ethylidene |
| Authors of publication | Cao, Yihan; Shih, Wei-Chun; Bhuvanesh, Nattamai; Ozerov, Oleg V. |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 16.077 ± 0.01 Å |
| b | 18.242 ± 0.011 Å |
| c | 18.253 ± 0.011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5353 ± 6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0345 |
| Residual factor for significantly intense reflections | 0.0218 |
| Weighted residual factors for significantly intense reflections | 0.0449 |
| Weighted residual factors for all reflections included in the refinement | 0.0486 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257194 (current) | 2020-10-06 | cif/ Adding structures of 1559268, 1559269, 1559270 via cif-deposit CGI script. |
1559269.cif |
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