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Information card for entry 4080861
Preview
Coordinates | 4080861.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H76 B2 Fe P4 |
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Calculated formula | C48 H76 B2 Fe P4 |
SMILES | [B]12(c3c([P](C(C)C)(C(C)C)[Fe]45([H]1)([H]2)[H][B](c1c(cccc1)[P]4(C(C)C)C(C)C)([H]5)c1c(P(C(C)C)C(C)C)cccc1)cccc3)c1c(P(C(C)C)C(C)C)cccc1 |
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 | 14.7183 ± 0.0008 Å |
b | 22.2944 ± 0.0013 Å |
c | 14.841 ± 0.0009 Å |
α | 90° |
β | 103.864 ± 0.003° |
γ | 90° |
Cell volume | 4728 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0668 |
Residual factor for significantly intense reflections | 0.0374 |
Weighted residual factors for significantly intense reflections | 0.0885 |
Weighted residual factors for all reflections included in the refinement | 0.1027 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4080861.html
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Users of the data should acknowledge the original authors of the
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