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Information card for entry 7220977
Preview
| Coordinates | 7220977.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [P4444][H(OAc)2] |
|---|---|
| Chemical name | tetrabutylphosphonium hydrogendiethanoate |
| Formula | C20 H43 O4 P |
| Calculated formula | C20 H43 O4 P |
| SMILES | C(CCC)[P+](CCCC)(CCCC)CCCC.C(=O)(C)[O-].C(=O)(C)O |
| 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 | 9.6788 ± 0.0003 Å |
| b | 9.6941 ± 0.0003 Å |
| c | 12.4864 ± 0.0004 Å |
| α | 86.025 ± 0.002° |
| β | 86.707 ± 0.002° |
| γ | 89.675 ± 0.002° |
| Cell volume | 1166.81 ± 0.06 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0435 |
| Residual factor for significantly intense reflections | 0.0372 |
| Weighted residual factors for significantly intense reflections | 0.0956 |
| Weighted residual factors for all reflections included in the refinement | 0.0994 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 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. |
7220977.cif |
| 153240 | 2015-08-08 | cif/ Updating files of 7220977, 7220978 Original log message: Adding full bibliography for 7220977--7220978.cif. |
7220977.cif |
| 139932 | 2015-07-03 | cif/ Adding structures of 7220977, 7220978 via cif-deposit CGI script. |
7220977.cif |
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Users of the data should acknowledge the original authors of the
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