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Information card for entry 4065092
Preview
Coordinates | 4065092.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H41 Fe O3 P3 |
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Calculated formula | C22 H41 Fe O3 P3 |
SMILES | [FeH]12([P](Oc3c2c(O[P]1(C(C)C)C(C)C)ccc3)(C(C)C)C(C)C)([P](C)(C)C)C#[O] |
Title of publication | Iron Hydride Complexes Bearing Phosphinite-Based Pincer Ligands: Synthesis, Reactivity, and Catalytic Application in Hydrosilylation Reactions |
Authors of publication | Bhattacharya, Papri; Krause, Jeanette A.; Guan, Hairong |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 17 |
Pages of publication | 4720 |
a | 10.6189 ± 0.0001 Å |
b | 14.7715 ± 0.0002 Å |
c | 15.9611 ± 0.0002 Å |
α | 90° |
β | 91.729 ± 0.001° |
γ | 90° |
Cell volume | 2502.47 ± 0.05 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0423 |
Residual factor for significantly intense reflections | 0.0356 |
Weighted residual factors for significantly intense reflections | 0.0907 |
Weighted residual factors for all reflections included in the refinement | 0.0951 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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