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Information card for entry 4130840
Preview
| Coordinates | 4130840.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C47.5 H75 N6 P3 Si3 |
|---|---|
| Calculated formula | C47.5 H75 N6 P3 Si3 |
| Title of publication | Pnictogen-Silicon Analogues of Benzene. |
| Authors of publication | Seitz, Andreas E.; Eckhardt, Maria; Erlebach, Andreas; Peresypkina, Eugenia V.; Sierka, Marek; Scheer, Manfred |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 33 |
| Pages of publication | 10433 - 10436 |
| a | 21.4117 ± 0.0005 Å |
| b | 21.3974 ± 0.0004 Å |
| c | 25.7847 ± 0.0007 Å |
| α | 90° |
| β | 114.123 ± 0.003° |
| γ | 90° |
| Cell volume | 10781.7 ± 0.5 Å3 |
| Cell temperature | 123 ± 1 K |
| Ambient diffraction temperature | 123 ± 1 K |
| Number of distinct elements | 5 |
| 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 | 0.0726 |
| Residual factor for significantly intense reflections | 0.0624 |
| Weighted residual factors for significantly intense reflections | 0.1806 |
| Weighted residual factors for all reflections included in the refinement | 0.1941 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301835 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/13/ Each referenced PubChem compound corresponds to the full crystal structure. |
4130840.cif |
| 241199 | 2019-11-25 | cif/ Adding structures of 4130840 via cif-deposit CGI script. |
4130840.cif |
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Users of the data should acknowledge the original authors of the
structural data.