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Information card for entry 4345533
Preview
| Coordinates | 4345533.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Moris449 (Heng Liu) |
|---|---|
| Formula | C38 H78 N6 Si6 Th |
| Calculated formula | C38 H78 N6 Si6 Th |
| SMILES | [Th](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N=C1N(c2c(N1c1c(cccc1C(C)C)C(C)C)cccc2)C |
| Title of publication | Catalytic Addition of Alcohols into Carbodiimides Promoted by Organoactinide Complexes. |
| Authors of publication | Liu, Heng; Khononov, Maxim; Fridman, Natalia; Tamm, Matthias; Eisen, Moris S. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2017 |
| Journal volume | 56 |
| Journal issue | 6 |
| Pages of publication | 3153 - 3157 |
| a | 11.885 ± 0.002 Å |
| b | 13.183 ± 0.0015 Å |
| c | 16.579 ± 0.0014 Å |
| α | 82.739 ± 0.006° |
| β | 89.037 ± 0.007° |
| γ | 83.095 ± 0.006° |
| Cell volume | 2558.1 ± 0.6 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0357 |
| Residual factor for significantly intense reflections | 0.0298 |
| Weighted residual factors for significantly intense reflections | 0.0632 |
| Weighted residual factors for all reflections included in the refinement | 0.065 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| 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. |
4345533.cif |
| 194826 | 2017-04-04 | cif/ Updating files of 4345532, 4345533, 4345534, 4345535, 4345536 Original log message: Adding full bibliography for 4345532--4345536.cif. |
4345533.cif |
| 194098 | 2017-03-09 | cif/ Adding structures of 4345532, 4345533, 4345534, 4345535, 4345536 via cif-deposit CGI script. |
4345533.cif |
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Users of the data should acknowledge the original authors of the
structural data.