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Information card for entry 4088067
Preview
| Coordinates | 4088067.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 20140623DTGH2 |
|---|---|
| Formula | C16 H12 Ge2 S4 |
| Calculated formula | C16 H12 Ge2 S4 |
| SMILES | c12c(ccs1)[GeH2]c1ccsc1c1c(ccs1)[GeH2]c1c2scc1 |
| Title of publication | Preparation and Reactions of Dichlorodithienogermoles |
| Authors of publication | Ohshita, Joji; Nakamura, Masashi; Ooyama, Yousuke |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 23 |
| Pages of publication | 5609 |
| a | 8.745 ± 0.004 Å |
| b | 13.115 ± 0.005 Å |
| c | 15.438 ± 0.006 Å |
| α | 90° |
| β | 93.689 ± 0.005° |
| γ | 90° |
| Cell volume | 1766.9 ± 1.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0284 |
| Residual factor for significantly intense reflections | 0.0228 |
| Weighted residual factors for significantly intense reflections | 0.0548 |
| Weighted residual factors for all reflections included in the refinement | 0.0585 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKa |
| 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. |
4088067.cif |
| 237241 | 2019-11-24 | cif/ Adding structures of 4088067 via cif-deposit CGI script. |
4088067.cif |
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Users of the data should acknowledge the original authors of the
structural data.