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Information card for entry 1552372
Preview
| Coordinates | 1552372.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H52 Br2 P4 Ru S2 |
|---|---|
| Calculated formula | C64 H52 Br2 P4 Ru S2 |
| SMILES | Brc1ccc(C#C[Ru]23(C#Cc4ccc(s4)Br)([P](CC[P]2(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[P](CC[P]3(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)s1 |
| Title of publication | Synthesis and characterization of a semiconducting and solution-processable ruthenium-based polymetallayne |
| Authors of publication | Ho, Po-Yuen; Komber, Hartmut; Horatz, Kilian; Tsuda, Takuya; Mannsfeld, Stefan C. B.; Dmitrieva, Evgenia; Blacque, Olivier; Kraft, Ulrike; Sirringhaus, Henning; Lissel, Franziska |
| Journal of publication | Polymer Chemistry |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 2 |
| Pages of publication | 472 - 479 |
| a | 9.3882 ± 0.0002 Å |
| b | 12.9082 ± 0.0002 Å |
| c | 13.5032 ± 0.0003 Å |
| α | 117.037 ± 0.002° |
| β | 96.017 ± 0.002° |
| γ | 103.315 ± 0.002° |
| Cell volume | 1376.31 ± 0.06 Å3 |
| Cell temperature | 160 ± 1 K |
| Ambient diffraction temperature | 160 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0318 |
| Residual factor for significantly intense reflections | 0.0312 |
| Weighted residual factors for significantly intense reflections | 0.0833 |
| Weighted residual factors for all reflections included in the refinement | 0.0837 |
| 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 | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257939 (current) | 2020-10-06 | cif/ Updating files of 1552372 Original log message: Adding full bibliography for 1552372.cif. |
1552372.cif |
| 247839 | 2020-02-04 | cif/ Updating files of 1552372 Original log message: Adding full bibliography for 1552372.cif. |
1552372.cif |
| 219105 | 2019-10-05 | cif/ Adding structures of 1552372 via cif-deposit CGI script. |
1552372.cif |
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