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Information card for entry 7121879
Preview
| Coordinates | 7121879.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C68 H98 Si3 |
|---|---|
| Calculated formula | C68 H98 Si3 |
| Title of publication | Phenylene-bridged cross-conjugated 1,2,3-trisilacyclopentadienes. |
| Authors of publication | Zhao, Hui; Klemmer, Lukas; Cowley, Michael J.; Majumdar, Moumita; Huch, Volker; Zimmer, Michael; Scheschkewitz, David |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 60 |
| Pages of publication | 8399 - 8402 |
| a | 19.538 ± 0.012 Å |
| b | 14.015 ± 0.009 Å |
| c | 24.33 ± 0.014 Å |
| α | 90° |
| β | 108.596 ± 0.014° |
| γ | 90° |
| Cell volume | 6314 ± 7 Å3 |
| Cell temperature | 182 ± 2 K |
| Ambient diffraction temperature | 182 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.2225 |
| Residual factor for significantly intense reflections | 0.0835 |
| Weighted residual factors for significantly intense reflections | 0.1675 |
| Weighted residual factors for all reflections included in the refinement | 0.2255 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7121879.cif |
| 228545 | 2019-11-17 | cif/ Updating files of 7121879, 7121880, 7121881 Original log message: Adding full bibliography for 7121879--7121881.cif. |
7121879.cif |
| 208638 | 2018-06-26 | cif/ Adding structures of 7121879, 7121880, 7121881 via cif-deposit CGI script. |
7121879.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.