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Information card for entry 2020119
Preview
| Coordinates | 2020119.cif |
|---|---|
| Structure factors | 2020119.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis(benzyltriphenylphosphonium) dichloride dodecachlorohexasilane |
|---|---|
| Formula | C50 H44 Cl14 P2 Si6 |
| Calculated formula | C50 H44 Cl14 P2 Si6 |
| Title of publication | A structural study of Si~6~-ring-containing [Si~6~Cl~14~]^2{-^} chlorosilicates |
| Authors of publication | Tillmann, Jan; Lerner, Hans-Wolfram; Bolte, Michael |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 10 |
| a | 11.0097 ± 0.0017 Å |
| b | 12.7082 ± 0.0018 Å |
| c | 13.0269 ± 0.0018 Å |
| α | 61.618 ± 0.01° |
| β | 72.804 ± 0.011° |
| γ | 71.605 ± 0.011° |
| Cell volume | 1498.3 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.136 |
| Residual factor for significantly intense reflections | 0.0711 |
| Weighted residual factors for significantly intense reflections | 0.1426 |
| Weighted residual factors for all reflections included in the refinement | 0.165 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301801 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/02 Each referenced PubChem compound corresponds to the full crystal structure. |
2020119.cif 2020119.hkl |
| 181871 | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/01 |
2020119.cif 2020119.hkl |
| 158198 | 2015-09-21 | cif/ hkl/ Adding structures of 2020116, 2020117, 2020118, 2020119 via cif-deposit CGI script. |
2020119.cif 2020119.hkl |
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.