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Information card for entry 4111704
Preview
Coordinates | 4111704.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 1(2) |
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Formula | C58 H82 F2 Fe2 N4 |
Calculated formula | C58 H82 F2 Fe2 N4 |
SMILES | [F]1[Fe]2([F][Fe]31N(c1c(cccc1C(C)C)C(C)C)C(=CC(C)=[N]3c1c(cccc1C(C)C)C(C)C)C)N(c1c(C(C)C)cccc1C(C)C)C(=CC(C)=[N]2c1c(cccc1C(C)C)C(C)C)C |
Title of publication | Synthesis and Reactivity of Low-Coordinate Iron(II) Fluoride Complexes and Their Use in the Catalytic Hydrodefluorination of Fluorocarbons |
Authors of publication | Javier Vela; Jeremy M. Smith; Ying Yu; Nicole A. Ketterer; Christine J. Flaschenriem; Rene J. Lachicotte; Patrick L. Holland |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2005 |
Journal volume | 127 |
Pages of publication | 7857 - 7870 |
a | 15.2552 ± 0.001 Å |
b | 16.7611 ± 0.0011 Å |
c | 21.8794 ± 0.0014 Å |
α | 90° |
β | 91.146 ± 0.001° |
γ | 90° |
Cell volume | 5593.3 ± 0.6 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 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 | 0.0816 |
Residual factor for significantly intense reflections | 0.0543 |
Weighted residual factors for significantly intense reflections | 0.1057 |
Weighted residual factors for all reflections included in the refinement | 0.1134 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
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/4111704.html
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Users of the data should acknowledge the original authors of the
structural data.