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Information card for entry 4074971
Preview
Coordinates | 4074971.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C51 H37 Cl8 F18 Fe N3 |
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Calculated formula | C51 H37 Cl8 F18 Fe N3 |
SMILES | [Fe]12(Cl)(Cl)[N](=C(c3[n]1c(ccc3)C(=[N]2c1cc(c(c(c1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)C)c1c(cc(cc1C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C.ClCCl.ClCCl.ClCCl |
Title of publication | High-Temperature Catalysts for the Production of α-Olefins Based on Iron(II) and Iron(III) Tridentate Bis(imino)pyridine Complexes with Double Pattern of Substitution: ortho-Methyl plusmeta-Aryl† |
Authors of publication | Ionkin, Alex S.; Marshall, William J.; Adelman, Douglas J.; Fones, Barbara Bobik; Fish, Brian M.; Schiffhauer, Matthew F. |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 12 |
Pages of publication | 2978 |
a | 20.024 ± 0.011 Å |
b | 21.142 ± 0.012 Å |
c | 29.448 ± 0.018 Å |
α | 90° |
β | 105.241 ± 0.014° |
γ | 90° |
Cell volume | 12028 ± 12 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.2177 |
Residual factor for significantly intense reflections | 0.1321 |
Weighted residual factors for significantly intense reflections | 0.3085 |
Weighted residual factors for all reflections included in the refinement | 0.3456 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.417 |
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/4074971.html
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Users of the data should acknowledge the original authors of the
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