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Information card for entry 4082870
Preview
Coordinates | 4082870.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C51 H52 Fe O4 Si4 |
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Calculated formula | C51 H52 Fe O4 Si4 |
SMILES | [FeH]1234(C#[O])(C#[O])[c]5([c]4([c]43[c]2([c]15[Si](c1ccccc1)(c1ccccc1)c1ccccc1)CCCC4)[Si](c1ccccc1)(c1ccccc1)c1ccccc1)O[Si](C)(C)O[SiH](C)C |
Title of publication | Synthesis of Fe‒H/Si‒H and Fe‒H/Ge‒H Bifunctional Complexes and Their Catalytic Hydrogenation Reactions toward Nonpolar Unsaturated Organic Molecules |
Authors of publication | Kamitani, Masahiro; Nishiguchi, Yoshinori; Tada, Ryosuke; Itazaki, Masumi; Nakazawa, Hiroshi |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 7 |
Pages of publication | 1532 |
a | 19.104 ± 0.01 Å |
b | 10.028 ± 0.005 Å |
c | 26.13 ± 0.013 Å |
α | 90° |
β | 110.315 ± 0.006° |
γ | 90° |
Cell volume | 4694 ± 4 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 | 0.0671 |
Residual factor for significantly intense reflections | 0.0529 |
Weighted residual factors for significantly intense reflections | 0.1153 |
Weighted residual factors for all reflections included in the refinement | 0.1234 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
Diffraction radiation wavelength | 0.710747 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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