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Information card for entry 4085462
Preview
Coordinates | 4085462.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H43 Cl4 Fe O3 P3 |
---|---|
Calculated formula | C44 H43 Cl4 Fe O3 P3 |
SMILES | [Fe]123([P](C)(C)C)([P](c4c([C@@H](O3)[C@H](O2)c2ccccc2[P]1(c1ccccc1)c1ccccc1)cccc4)(c1ccccc1)c1ccccc1)C#[O].ClCCl.ClCCl.[Fe]123([P](C)(C)C)([P](c4c([C@H](O3)[C@@H](O2)c2ccccc2[P]1(c1ccccc1)c1ccccc1)cccc4)(c1ccccc1)c1ccccc1)C#[O].ClCCl.ClCCl |
Title of publication | Cooperative Metal‒Ligand Reactivity and Catalysis in Low-Spin Ferrous Alkoxides |
Authors of publication | Chu, Wan-Yi; Zhou, Xiaoyuan; Rauchfuss, Thomas B. |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 9 |
Pages of publication | 1619 |
a | 10.342 ± 0.002 Å |
b | 19.477 ± 0.004 Å |
c | 21.417 ± 0.005 Å |
α | 90° |
β | 95.781 ± 0.007° |
γ | 90° |
Cell volume | 4292.1 ± 1.6 Å3 |
Cell temperature | 173.15 K |
Ambient diffraction temperature | 173.15 K |
Number of distinct elements | 6 |
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 | 0.0837 |
Residual factor for significantly intense reflections | 0.0463 |
Weighted residual factors for significantly intense reflections | 0.095 |
Weighted residual factors for all reflections included in the refinement | 0.1096 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation probe | x-ray |
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/4085462.html
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Users of the data should acknowledge the original authors of the
structural data.