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Information card for entry 4124307
Preview
| Coordinates | 4124307.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H26 Si2 |
|---|---|
| Calculated formula | C26 H26 Si2 |
| SMILES | c1(ccc2c3c1ccc1ccc(c(c31)cc2)C#C[Si](C)(C)C)C#C[Si](C)(C)C |
| Title of publication | Searching the Hearts of Graphene-like Molecules for Simplicity, Sensitivity, and Logic. |
| Authors of publication | Sangtarash, Sara; Huang, Cancan; Sadeghi, Hatef; Sorohhov, Gleb; Hauser, Jürg; Wandlowski, Thomas; Hong, Wenjing; Decurtins, Silvio; Liu, Shi-Xia; Lambert, Colin J. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 35 |
| Pages of publication | 11425 - 11431 |
| a | 17.0695 ± 0.0003 Å |
| b | 6.7893 ± 0.00012 Å |
| c | 10.31637 ± 0.00018 Å |
| α | 90° |
| β | 91.8954 ± 0.0017° |
| γ | 90° |
| Cell volume | 1194.91 ± 0.04 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0513 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.112 |
| Weighted residual factors for all reflections included in the refinement | 0.1177 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4124307.cif |
| 160529 | 2015-10-06 | cif/ Updating files of 4124307 Original log message: Adding full bibliography for 4124307.cif. |
4124307.cif |
| 153775 | 2015-08-29 | cif/ Adding structures of 4124307 via cif-deposit CGI script. |
4124307.cif |
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Users of the data should acknowledge the original authors of the
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