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Information card for entry 4080858
Preview
Coordinates | 4080858.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H65 B Fe N P3 |
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Calculated formula | C41 H65 B Fe N P3 |
SMILES | [Fe]123([P](c4c(cccc4)[B]([H]3)(c3c([P]2(C(C)C)C(C)C)cccc3)c2ccccc2[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)C#[N]C(C)(C)C |
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 | 28.1082 ± 0.0011 Å |
b | 11.7188 ± 0.0005 Å |
c | 12.0896 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3982.2 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0531 |
Residual factor for significantly intense reflections | 0.0369 |
Weighted residual factors for significantly intense reflections | 0.0807 |
Weighted residual factors for all reflections included in the refinement | 0.0878 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.944 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4080858.html
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