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Information card for entry 4065093
Preview
Coordinates | 4065093.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H32 Fe O4 P2 |
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Calculated formula | C20 H32 Fe O4 P2 |
SMILES | [FeH]12([P](Oc3c2c(O[P]1(C(C)C)C(C)C)ccc3)(C(C)C)C(C)C)(C#[O])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 | 10.7596 ± 0.0002 Å |
b | 14.0546 ± 0.0003 Å |
c | 14.9506 ± 0.0003 Å |
α | 82.846 ± 0.001° |
β | 87.478 ± 0.001° |
γ | 89.989 ± 0.001° |
Cell volume | 2241.05 ± 0.08 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0388 |
Residual factor for significantly intense reflections | 0.0338 |
Weighted residual factors for significantly intense reflections | 0.0871 |
Weighted residual factors for all reflections included in the refinement | 0.0913 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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