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Information card for entry 4088635
Preview
| Coordinates | 4088635.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H18 Ge2 S4 |
|---|---|
| Calculated formula | C20 H18 Ge2 S4 |
| SMILES | [Ge]1([Ge]2(c3ccsc3c3sccc23)CC)(c2ccsc2c2sccc12)CC |
| Title of publication | Synthesis of Poly(dithienogermole)s |
| Authors of publication | Nakamura, Masashi; Ooyama, Yousuke; Hayakawa, Shinjiro; Nishino, Makoto; Ohshita, Joji |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 14 |
| Pages of publication | 2333 |
| a | 7.3906 ± 0.0005 Å |
| b | 10.8532 ± 0.0005 Å |
| c | 26.5171 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2127 ± 0.2 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 4 |
| 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 | 0.0288 |
| Residual factor for significantly intense reflections | 0.0242 |
| Weighted residual factors for significantly intense reflections | 0.0722 |
| Weighted residual factors for all reflections included in the refinement | 0.0787 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.626 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4088635.cif |
| 237737 | 2019-11-24 | cif/ Adding structures of 4088635 via cif-deposit CGI script. |
4088635.cif |
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Users of the data should acknowledge the original authors of the
structural data.