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Information card for entry 7039921
Preview
| Coordinates | 7039921.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H20 F17 N3 O |
|---|---|
| Calculated formula | C32 H20 F17 N3 O |
| SMILES | FC(F)(CCCOc1ccc(c2cc(nc(c3ncccc3)c2)c2ncccc2)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
| Title of publication | Metallogel formation in aqueous DMSO by perfluoroalkyl decorated terpyridine ligands. |
| Authors of publication | Tatikonda, Rajendhraprasad; Bhowmik, Sandip; Rissanen, Kari; Haukka, Matti; Cametti, Massimo |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 32 |
| Pages of publication | 12756 - 12762 |
| a | 26.1873 ± 0.0011 Å |
| b | 11.4472 ± 0.0004 Å |
| c | 10.4756 ± 0.0004 Å |
| α | 90° |
| β | 93.328 ± 0.004° |
| γ | 90° |
| Cell volume | 3135 ± 0.2 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0646 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for significantly intense reflections | 0.1231 |
| Weighted residual factors for all reflections included in the refinement | 0.1322 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7039921.cif |
| 186435 | 2016-09-10 | cif/ Updating files of 7039921, 7039922, 7039923, 7039924, 7039925 Original log message: Adding full bibliography for 7039921--7039925.cif. |
7039921.cif |
| 184494 | 2016-07-16 | cif/ Adding structures of 7039921, 7039922, 7039923, 7039924, 7039925 via cif-deposit CGI script. |
7039921.cif |
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Users of the data should acknowledge the original authors of the
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