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Information card for entry 2240106
Preview
| Coordinates | 2240106.cif |
|---|---|
| Structure factors | 2240106.hkl |
| Original IUCr paper | HTML |
| Chemical name | (3-Carboxypropyl)triphenylphosphonium hexafluoridophosphate |
|---|---|
| Formula | C22 H22 F6 O2 P2 |
| Calculated formula | C22 H22 F6 O2 P2 |
| SMILES | [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CCCC(=O)O.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Crystal structure of (3-carboxypropyl)triphenylphosphonium hexafluoridophosphate |
| Authors of publication | Hillesheim, Patrick C.; Scipione, Kent A.; Stokes, Sean L. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 11 |
| Pages of publication | o1197 - o1198 |
| a | 9.3307 ± 0.0001 Å |
| b | 10.6773 ± 0.0002 Å |
| c | 12.8129 ± 0.0002 Å |
| α | 72.46 ± 0.001° |
| β | 82.307 ± 0.001° |
| γ | 65.495 ± 0.001° |
| Cell volume | 1107.46 ± 0.03 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.03 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 | 0.0419 |
| Residual factor for significantly intense reflections | 0.0339 |
| Weighted residual factors for significantly intense reflections | 0.0814 |
| Weighted residual factors for all reflections included in the refinement | 0.0865 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181901 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/01 |
2240106.cif 2240106.hkl |
| 181321 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/01. |
2240106.cif 2240106.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240106.cif 2240106.hkl |
| 125888 | 2014-10-26 | cif/ hkl/ Adding structures of 2240106 via cif-deposit CGI script. |
2240106.cif 2240106.hkl |
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Users of the data should acknowledge the original authors of the
structural data.