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Information card for entry 2011735
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| Coordinates | 2011735.cif |
|---|---|
| Structure factors | 2011735.hkl |
| Original IUCr paper | HTML |
| Common name | Ferrocenylthiophene carboxylic acid |
|---|---|
| Chemical name | 2-(Ferrocenyl)thiophene-3-carboxylic acid |
| Formula | C15 H12 Fe O2 S |
| Calculated formula | C15 H12 Fe O2 S |
| Title of publication | Intermolecular O—H···O and C—H···π(C~5~H~5~), and intramolecular C—H···O interactions in 2-(ferrocenyl)thiophene-3-carboxylic acid |
| Authors of publication | Gallagher, John F.; Hudson, Richard D. A.; Manning, A. R. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 1 |
| Pages of publication | 28 - 30 |
| a | 12.7108 ± 0.0008 Å |
| b | 7.4801 ± 0.0006 Å |
| c | 14.2397 ± 0.0009 Å |
| α | 90° |
| β | 110.542 ± 0.005° |
| γ | 90° |
| Cell volume | 1267.8 ± 0.16 Å3 |
| Cell temperature | 294 ± 1 K |
| Ambient diffraction temperature | 294 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.045 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for all reflections included in the refinement | 0.082 |
| 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 | Yes |
| Has Fobs | Yes |
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