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Information card for entry 4088030
Preview
Coordinates | 4088030.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H14 Fe O2 S |
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Calculated formula | C16 H14 Fe O2 S |
SMILES | [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)S(=O)(=O)c1ccccc1)[cH]1[cH]5[cH]6[cH]7[cH]81 |
Title of publication | The Unusual Redox Properties of Fluoroferrocenes Revealed through a Comprehensive Study of the Haloferrocenes |
Authors of publication | Inkpen, Michael S.; Du, Shuoren; Hildebrand, Mariana; White, Andrew J. P.; Harrison, Nicholas M.; Albrecht, Tim; Long, Nicholas J. |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 22 |
Pages of publication | 5461 |
a | 12.7625 ± 0.0002 Å |
b | 10.8996 ± 0.0002 Å |
c | 19.5864 ± 0.0006 Å |
α | 90° |
β | 90.0276 ± 0.0019° |
γ | 90° |
Cell volume | 2724.59 ± 0.11 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 5 |
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 | 0.0336 |
Residual factor for significantly intense reflections | 0.0289 |
Weighted residual factors for significantly intense reflections | 0.0592 |
Weighted residual factors for all reflections included in the refinement | 0.0614 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
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/4088030.html
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