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Information card for entry 4348014
Preview
| Coordinates | 4348014.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H51 Cs N2 O6 Si2 |
|---|---|
| Calculated formula | C21 H51 Cs N2 O6 Si2 |
| SMILES | [Cs]123456([O](CC[N]2(CC[O]3CC[O]4C)CC[O]5CC[O]6C)CC[O]1C)N([Si](C)(C)C)[Si](C)(C)C |
| Title of publication | Structural Studies of Cesium, Lithium/Cesium, and Sodium/Cesium Bis(trimethylsilyl)amide (HMDS) Complexes. |
| Authors of publication | Ojeda-Amador, Ana I; Martínez-Martínez, Antonio J; Kennedy, Alan R.; O'Hara, Charles T |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 11 |
| Pages of publication | 5719 - 5728 |
| a | 10.1936 ± 0.0008 Å |
| b | 11.0301 ± 0.0007 Å |
| c | 15.1092 ± 0.0008 Å |
| α | 82.412 ± 0.005° |
| β | 83.998 ± 0.006° |
| γ | 67.642 ± 0.007° |
| Cell volume | 1554.62 ± 0.19 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 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 | 0.0334 |
| Residual factor for significantly intense reflections | 0.0265 |
| Weighted residual factors for significantly intense reflections | 0.0532 |
| Weighted residual factors for all reflections included in the refinement | 0.0563 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4348014.cif |
| 232638 | 2019-11-23 | cif/ Adding structures of 4348008, 4348009, 4348010, 4348011, 4348012, 4348013, 4348014 via cif-deposit CGI script. |
4348014.cif |
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Users of the data should acknowledge the original authors of the
structural data.