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Information card for entry 4102623
Preview
Coordinates | 4102623.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H36 Br Ir O P2 Si |
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Calculated formula | C32 H36 Br Ir O P2 Si |
SMILES | [IrH]12(Br)([P](CCC[Si]2(C)CCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C#[O] |
Title of publication | Iridium Compounds with κ-P,P,Si(biPSi) Pincer Ligands: Favoring Reactive Structures in Unsaturated Complexes |
Authors of publication | Eduardo Sola; Alba García-Camprubí; José L. Andrés; Marta Martín; Pablo Plou |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2010 |
Journal volume | 132 |
Pages of publication | 9111 - 9121 |
a | 11.4095 ± 0.0008 Å |
b | 18.8397 ± 0.0013 Å |
c | 14.1399 ± 0.001 Å |
α | 90° |
β | 100.888 ± 0.001° |
γ | 90° |
Cell volume | 2984.7 ± 0.4 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 | 0.0313 |
Residual factor for significantly intense reflections | 0.0235 |
Weighted residual factors for significantly intense reflections | 0.0467 |
Weighted residual factors for all reflections included in the refinement | 0.0478 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.911 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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