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Information card for entry 7711717
Preview
| Coordinates | 7711717.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H27 N O6 |
|---|---|
| Calculated formula | C9 H27 N O6 |
| SMILES | [O-]C(=O)O.O.O.[N+](CC)(CC)(CC)CC.O |
| Title of publication | CO2 capture from ambient air via crystallization with tetraalkylammonium hydroxides |
| Authors of publication | Mishra, Manish Kumar; Smetana, Volodymyr; Hiti, Ethan A.; Wineinger, Hannah B.; Qu, Fengrui; Mudring, Anja-Verena; Rogers, Robin D. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 7.6005 ± 0.0005 Å |
| b | 12.8836 ± 0.0008 Å |
| c | 14.9593 ± 0.0009 Å |
| α | 90° |
| β | 110.513 ± 0.004° |
| γ | 90° |
| Cell volume | 1371.96 ± 0.15 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0669 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.1106 |
| Weighted residual factors for all reflections included in the refinement | 0.1231 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279126 (current) | 2022-11-09 | cif/ Adding structures of 7711717, 7711718, 7711719, 7711720, 7711721, 7711722, 7711723 via cif-deposit CGI script. |
7711717.cif |
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Users of the data should acknowledge the original authors of the
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