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Information card for entry 7220978
Preview
| Coordinates | 7220978.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [P4444][HCO3] |
|---|---|
| Chemical name | tetrabutylphosphonium hydrogencarbonate |
| Formula | C34 H74 O6 P2 |
| Calculated formula | C34 H74 O6 P2 |
| Title of publication | Carbon dioxide uptake from natural gas by binary ionic liquid–water mixtures |
| Authors of publication | Anderson, Kris; Atkins, Martin P.; Estager, Julien; Kuah, Yongcheun; Ng, Shieling; Oliferenko, Alexander A.; Plechkova, Natalia V.; Puga, Alberto V.; Seddon, Kenneth R.; Wassell, David F. |
| Journal of publication | Green Chem. |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 8 |
| Pages of publication | 4340 |
| a | 10.569 ± 0.005 Å |
| b | 11.627 ± 0.005 Å |
| c | 31.826 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 90.812 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 3911 ± 3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.135 |
| Residual factor for significantly intense reflections | 0.0567 |
| Weighted residual factors for significantly intense reflections | 0.117 |
| Weighted residual factors for all reflections included in the refinement | 0.1331 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.88 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7220978.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7220978.cif |
| 153240 | 2015-08-08 | cif/ Updating files of 7220977, 7220978 Original log message: Adding full bibliography for 7220977--7220978.cif. |
7220978.cif |
| 139932 | 2015-07-03 | cif/ Adding structures of 7220977, 7220978 via cif-deposit CGI script. |
7220978.cif |
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Users of the data should acknowledge the original authors of the
structural data.