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Information card for entry 4086122
Preview
| Coordinates | 4086122.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H53 K N O9 Si3 |
|---|---|
| Calculated formula | C30 H53 K N O9 Si3 |
| SMILES | [Si-]([Si]23OCCN(CCO2)CCO3)([Si](C)(C)C)c1ccccc1.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]5CC[O]4CC6.c1ccccc1 |
| Title of publication | Oligosilanylsilatranes. |
| Authors of publication | Aghazadeh Meshgi, Mohammad; Baumgartner, Judith; Marschner, Christoph |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 15 |
| Pages of publication | 3721 - 3731 |
| a | 10.79 ± 0.002 Å |
| b | 10.863 ± 0.002 Å |
| c | 16.42 ± 0.003 Å |
| α | 93.348 ± 0.003° |
| β | 105.422 ± 0.003° |
| γ | 99.085 ± 0.003° |
| Cell volume | 1821.8 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0423 |
| Residual factor for significantly intense reflections | 0.0378 |
| Weighted residual factors for significantly intense reflections | 0.0901 |
| Weighted residual factors for all reflections included in the refinement | 0.0928 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 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. |
4086122.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4086122.cif |
| 154725 | 2015-09-06 | cif/ Updating files of 4086115, 4086116, 4086117, 4086118, 4086119, 4086120, 4086121, 4086122, 4086123, 4086124, 4086125 Original log message: Adding full bibliography for 4086115--4086125.cif. |
4086122.cif |
| 152621 | 2015-07-30 | cif/ Adding structures of 4086115, 4086116, 4086117, 4086118, 4086119, 4086120, 4086121, 4086122, 4086123, 4086124, 4086125 via cif-deposit CGI script. |
4086122.cif |
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Users of the data should acknowledge the original authors of the
structural data.