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Information card for entry 7046917
Preview
| Coordinates | 7046917.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C56 H124 Ce K O18 Si4 |
|---|---|
| Calculated formula | C56 H124 Ce K O18 Si4 |
| Title of publication | Redox-enhanced hemilability of a tris(tert-butoxy)siloxy ligand at cerium. |
| Authors of publication | Friedrich, Jochen; Qiao, Yusen; Maichle-Mössmer, Cäcilia; Schelter, Eric J.; Anwander, Reiner |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 30 |
| Pages of publication | 10113 - 10123 |
| a | 22.496 ± 0.0009 Å |
| b | 14.8753 ± 0.0004 Å |
| c | 23.0312 ± 0.0007 Å |
| α | 90° |
| β | 106.034 ± 0.002° |
| γ | 90° |
| Cell volume | 7407.2 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0412 |
| Residual factor for significantly intense reflections | 0.0282 |
| Weighted residual factors for significantly intense reflections | 0.0557 |
| Weighted residual factors for all reflections included in the refinement | 0.0599 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7046917.cif |
| 229805 | 2019-11-17 | cif/ Updating files of 7046916, 7046917, 7046918, 7046919 Original log message: Adding full bibliography for 7046916--7046919.cif. |
7046917.cif |
| 208733 | 2018-06-29 | cif/ Adding structures of 7046916, 7046917, 7046918, 7046919 via cif-deposit CGI script. |
7046917.cif |
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Users of the data should acknowledge the original authors of the
structural data.