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Information card for entry 4086117
Preview
| Coordinates | 4086117.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C13 H33 N O3 Si4 |
|---|---|
| Calculated formula | C13 H33 N O3 Si4 |
| SMILES | [Si]123([Si]([Si](C)(C)C)([Si](C)(C)C)C)[N](CCO1)(CCO2)CCO3 |
| 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 | 26.403 ± 0.005 Å |
| b | 12.048 ± 0.002 Å |
| c | 12.972 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4126.4 ± 1.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 54 |
| Hermann-Mauguin space group symbol | P c c a |
| Hall space group symbol | -P 2a 2ac |
| Residual factor for all reflections | 0.0793 |
| Residual factor for significantly intense reflections | 0.0753 |
| Weighted residual factors for significantly intense reflections | 0.1458 |
| Weighted residual factors for all reflections included in the refinement | 0.1478 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.389 |
| 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. |
4086117.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. |
4086117.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. |
4086117.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. |
4086117.cif |
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Users of the data should acknowledge the original authors of the
structural data.