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Information card for entry 4133978
Preview
Coordinates | 4133978.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 | 7.1618 ± 0.0005 Å |
b | 9.2536 ± 0.0006 Å |
c | 11.8972 ± 0.0009 Å |
α | 76.583 ± 0.006° |
β | 77.727 ± 0.006° |
γ | 83.757 ± 0.005° |
Cell volume | 747.94 ± 0.09 Å3 |
Cell temperature | 302.5 K |
Ambient diffraction temperature | 302.5 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 | 0.0389 |
Residual factor for significantly intense reflections | 0.0381 |
Weighted residual factors for significantly intense reflections | 0.0989 |
Weighted residual factors for all reflections included in the refinement | 0.0996 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
247531 (current) | 2020-02-04 | cif/ Updating files of 4133967, 4133968, 4133969, 4133970, 4133971, 4133972, 4133973, 4133974, 4133975, 4133976, 4133977, 4133978, 4133979, 4133980 Original log message: Adding full bibliography for 4133967--4133980.cif. |
4133978.cif |
246921 | 2020-01-17 | cif/ Adding structures of 4133967, 4133968, 4133969, 4133970, 4133971, 4133972, 4133973, 4133974, 4133975, 4133976, 4133977, 4133978, 4133979, 4133980 via cif-deposit CGI script. |
4133978.cif |
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Users of the data should acknowledge the original authors of the
structural data.