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Information card for entry 2242462
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| Coordinates | 2242462.cif |
|---|---|
| Structure factors | 2242462.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-1,2-Diferrocenyl-1,2-bis(furan-2-yl)ethene |
|---|---|
| Formula | C30 H24 Fe2 O2 |
| Calculated formula | C30 H24 Fe2 O2 |
| SMILES | [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)/C(=C(\c1occc1)[c]12[cH]3[Fe]49%10%11%12%131([cH]2[cH]4[cH]39)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131)c1occc1)[cH]1[cH]5[cH]6[cH]7[cH]81 |
| Title of publication | Crystal structure of (<i>E</i>)-1,2-diferrocenyl-1,2-bis(furan-2-yl)ethene |
| Authors of publication | Linden, Anthony; Hamera-Fałdyga, Róża; Mlostoń, Grzegorz; Heimgartner, Heinz |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 5 |
| Pages of publication | 625 - 629 |
| a | 5.81006 ± 0.00013 Å |
| b | 22.7138 ± 0.0005 Å |
| c | 8.38031 ± 0.00018 Å |
| α | 90° |
| β | 91.785 ± 0.002° |
| γ | 90° |
| Cell volume | 1105.4 ± 0.04 Å3 |
| Cell temperature | 160 ± 2 K |
| Ambient diffraction temperature | 160 ± 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 | 0.0405 |
| Residual factor for significantly intense reflections | 0.032 |
| Weighted residual factors for significantly intense reflections | 0.0721 |
| Weighted residual factors for all reflections included in the refinement | 0.0766 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 207555 (current) | 2018-04-30 | cif/ hkl/ Adding structures of 2242462 via cif-deposit CGI script. |
2242462.cif 2242462.hkl |
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Users of the data should acknowledge the original authors of the
structural data.