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Information card for entry 4346733
Preview
| Coordinates | 4346733.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C38 H42 N6 O2 Zn2 |
|---|---|
| Calculated formula | C38 H42 N6 O2 Zn2 |
| Title of publication | Macrocyclic Dizinc(II) Alkyl and Alkoxide Complexes: Reversible CO2 Uptake and Polymerization Catalysis Testing. |
| Authors of publication | Romain, Charles; Bennington, Michael S.; White, Andrew J. P.; Williams, Charlotte K.; Brooker, Sally |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 24 |
| Pages of publication | 11842 - 11851 |
| a | 12.0878 ± 0.0005 Å |
| b | 12.1033 ± 0.0006 Å |
| c | 13.5035 ± 0.0005 Å |
| α | 92.669 ± 0.003° |
| β | 106.799 ± 0.004° |
| γ | 108.762 ± 0.004° |
| Cell volume | 1769.44 ± 0.15 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 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 | 0.051 |
| Residual factor for significantly intense reflections | 0.0348 |
| Weighted residual factors for significantly intense reflections | 0.0751 |
| Weighted residual factors for all reflections included in the refinement | 0.0838 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
4346733.cif |
| 231942 | 2019-11-23 | cif/ Adding structures of 4346732, 4346733, 4346734 via cif-deposit CGI script. |
4346733.cif |
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Users of the data should acknowledge the original authors of the
structural data.