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Information card for entry 4080862
Preview
Coordinates | 4080862.cif |
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Original paper (by DOI) | HTML |
Formula | C37 H55 Fe O P3 Si |
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Calculated formula | C37 H55 Fe O P3 Si |
SMILES | [FeH]123([P](c4ccccc4[Si]3(c3c([P]1(C(C)C)C(C)C)cccc3)c1ccccc1[P]2(C(C)C)C(C)C)(C(C)C)C(C)C)C#[O] |
Title of publication | Heterolytic H2Cleavage and Catalytic Hydrogenation by an Iron Metallaboratrane |
Authors of publication | Fong, Henry; Moret, Marc-Etienne; Lee, Yunho; Peters, Jonas C. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 10 |
Pages of publication | 3053 |
a | 36.5798 ± 0.0008 Å |
b | 11.7777 ± 0.0003 Å |
c | 17.1309 ± 0.0004 Å |
α | 90° |
β | 104.243 ± 0.001° |
γ | 90° |
Cell volume | 7153.6 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.029 |
Residual factor for significantly intense reflections | 0.0273 |
Weighted residual factors for significantly intense reflections | 0.0693 |
Weighted residual factors for all reflections included in the refinement | 0.0703 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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