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Information card for entry 4107847
Preview
Coordinates | 4107847.cif |
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Original paper (by DOI) | HTML |
Formula | C42.5 H65 Ce F4 |
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Calculated formula | C42.5 H58 Ce F4 |
Title of publication | Fluorine for Hydrogen Exchange in the Hydrofluorobenzene Derivatives C6HxF(6-x), where x= 2, 3, 4 and 5 by Monomeric [1,2,4-(Me3C)3C5H2]2CeH: The Solid State Isomerization of [1,2,4-(Me3C)3C5H2]2Ce(2,3,4,5-C6HF4) to [1,2,4-(Me3C)3C5H2]2Ce(2,3,4,6-C6HF4) |
Authors of publication | Evan L. Werkema; Richard A. Andersen |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 7153 - 7165 |
a | 10.1818 ± 0.0005 Å |
b | 22.164 ± 0.001 Å |
c | 17.8504 ± 0.0009 Å |
α | 90° |
β | 91.591 ± 0.001° |
γ | 90° |
Cell volume | 4026.7 ± 0.3 Å3 |
Cell temperature | 169.2 K |
Number of distinct elements | 4 |
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 | 0.0453 |
Residual factor for significantly intense reflections | 0.0382 |
Weighted residual factors for all reflections | 0.0557 |
Weighted residual factors for all reflections included in the refinement | 0.0546 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.672 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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