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Information card for entry 1544603
Preview
| Coordinates | 1544603.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C31 H45 F6 N3 Si2 Zn |
|---|---|
| Calculated formula | C31 H45 F6 N3 Si2 Zn |
| SMILES | [Zn]1(N(C(=CC(=[N]1c1c(cccc1CC)CC)C(F)(F)F)C(F)(F)F)c1c(cccc1CC)CC)N([Si](C)(C)C)[Si](C)(C)C |
| Title of publication | A Lewis acid β-diiminato-zinc-complex as all-rounder for co- and terpolymerisation of various epoxides with carbon dioxide |
| Authors of publication | Reiter, M.; Vagin, S.; Kronast, A.; Jandl, C.; Rieger, B. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2017 |
| Journal volume | 8 |
| Journal issue | 3 |
| Pages of publication | 1876 |
| a | 10.5225 ± 0.0011 Å |
| b | 11.8495 ± 0.0013 Å |
| c | 16.4988 ± 0.0018 Å |
| α | 91.643 ± 0.005° |
| β | 107.641 ± 0.005° |
| γ | 115.266 ± 0.004° |
| Cell volume | 1742.8 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0418 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.0955 |
| Weighted residual factors for all reflections included in the refinement | 0.0991 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1544603.cif |
| 211179 | 2018-09-26 | cif/ Removing the _chemical_formula_sum data item from 427 entries since the values consisted only of white spaces. |
1544603.cif |
| 193739 | 2017-03-05 | cif/ Updating files of 1544602, 1544603 Original log message: Adding full bibliography for 1544602--1544603.cif. |
1544603.cif |
| 188542 | 2016-11-18 | cif/ Adding structures of 1544602, 1544603 via cif-deposit CGI script. |
1544603.cif |
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