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Information card for entry 4002972
Preview
| Coordinates | 4002972.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | di(ortho-methylphenyl) selane |
|---|---|
| Formula | C14 H14 Se |
| Calculated formula | C14 H14 Se |
| Title of publication | Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry |
| Authors of publication | Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2019 |
| Journal volume | 31 |
| Journal issue | 17 |
| Pages of publication | 6598 |
| a | 7.13182 ± 0.00014 Å |
| b | 7.33176 ± 0.00014 Å |
| c | 22.8392 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1194.23 ± 0.04 Å3 |
| Cell temperature | 99.9 ± 0.5 K |
| Ambient diffraction temperature | 99.9 ± 0.5 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0357 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.0926 |
| Weighted residual factors for all reflections included in the refinement | 0.0928 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220396 (current) | 2019-10-29 | cif/ Adding structures of 4002972 via cif-deposit CGI script. |
4002972.cif |
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