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Information card for entry 2020307
Preview
| Coordinates | 2020307.cif |
|---|---|
| Structure factors | 2020307.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ferrocene-1,1'-diylbis(methylene) dimethacrylate |
|---|---|
| Formula | C20 H22 Fe O4 |
| Calculated formula | C20 H22 Fe O4 |
| Title of publication | Structures and packing of ferrocenylmethyl methacrylate and ferrocene-1,1'-diylbis(methylene) dimethacrylate |
| Authors of publication | McAdam, C. John; Moratti, Stephen C.; Simpson, Jim |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| a | 8.7326 ± 0.0003 Å |
| b | 10.3037 ± 0.0003 Å |
| c | 11.0775 ± 0.0004 Å |
| α | 64.245 ± 0.002° |
| β | 77.333 ± 0.002° |
| γ | 77.167 ± 0.002° |
| Cell volume | 866.7 ± 0.05 Å3 |
| Cell temperature | 89 ± 2 K |
| Ambient diffraction temperature | 89 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0403 |
| Residual factor for significantly intense reflections | 0.0336 |
| Weighted residual factors for significantly intense reflections | 0.0842 |
| Weighted residual factors for all reflections included in the refinement | 0.0882 |
| 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 | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181873 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/03 |
2020307.cif 2020307.hkl |
| 170591 | 2015-11-29 | cif/ hkl/ Adding structures of 2020306, 2020307 via cif-deposit CGI script. |
2020307.cif 2020307.hkl |
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Users of the data should acknowledge the original authors of the
structural data.