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Information card for entry 4133977
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Coordinates | 4133977.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Ferrocene:hexafluorobenzene |
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Formula | C16 H10 F6 Fe |
Calculated formula | C16 H10 F6 Fe |
Title of publication | Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene. |
Authors of publication | Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2020 |
Journal volume | 142 |
Journal issue | 4 |
Pages of publication | 1731 - 1734 |
a | 7.167 ± 0.0004 Å |
b | 9.2494 ± 0.0006 Å |
c | 11.888 ± 0.001 Å |
α | 76.621 ± 0.006° |
β | 77.687 ± 0.006° |
γ | 83.786 ± 0.005° |
Cell volume | 747.6 ± 0.09 Å3 |
Cell temperature | 300 K |
Ambient diffraction temperature | 300 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | B -1 |
Hall space group symbol | -B 1 |
Residual factor for all reflections | 0.0377 |
Residual factor for significantly intense reflections | 0.0368 |
Weighted residual factors for significantly intense reflections | 0.0994 |
Weighted residual factors for all reflections included in the refinement | 0.1004 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4133977.html
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