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Information card for entry 7053426
Preview
Coordinates | 7053426.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H17 Cl Ir N2 O P |
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Calculated formula | C22 H17 Cl Ir N2 O P |
SMILES | [Ir]1(Cl)([P](c2c(n3[n]1ccc3)cccc2)(c1ccccc1)c1ccccc1)C#[O] |
Title of publication | Improving intramolecular hydroamination Rh(i) and Ir(i) catalysts through targeted ligand modification |
Authors of publication | Beeren, Sophie R.; Dabb, Serin L.; Edwards, Gavin; Smith, Matthew K.; Willis, Anthony C.; Messerle, Barbara A. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2010 |
Journal volume | 34 |
Journal issue | 6 |
Pages of publication | 1200 |
a | 8.79 ± 0.0018 Å |
b | 22.9 ± 0.005 Å |
c | 10.496 ± 0.002 Å |
α | 90° |
β | 100.13 ± 0.03° |
γ | 90° |
Cell volume | 2079.8 ± 0.8 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0359 |
Residual factor for significantly intense reflections | 0.0256 |
Weighted residual factors for significantly intense reflections | 0.06 |
Weighted residual factors for all reflections included in the refinement | 0.0651 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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