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Information card for entry 7152232
Preview
| Coordinates | 7152232.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49 H41 Cl3 F12 P4 |
|---|---|
| Calculated formula | C49 H41 Cl3 F12 P4 |
| SMILES | [P+](Cc1c(cc2c(cccc2)c1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | An alternative approach: a highly selective dual responding fluoride sensor having active methylene group as binding site(). |
| Authors of publication | Das, Priyadip; Kesharwani, Manoj K.; Mandal, Amal K.; Suresh, Eringathodi; Ganguly, Bishwajit; Das, Amitava |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2012 |
| Journal volume | 10 |
| Journal issue | 11 |
| Pages of publication | 2263 - 2271 |
| a | 20.4538 ± 0.0012 Å |
| b | 25.3853 ± 0.0015 Å |
| c | 19.2348 ± 0.0012 Å |
| α | 90° |
| β | 90.229 ± 0.001° |
| γ | 90° |
| Cell volume | 9987.1 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.209 |
| Residual factor for significantly intense reflections | 0.1336 |
| Weighted residual factors for significantly intense reflections | 0.2789 |
| Weighted residual factors for all reflections included in the refinement | 0.318 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180308 (current) | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/22. |
7152232.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7152232.cif |
| 119664 | 2014-07-08 | cif/7 Fixing Z value / formula for several entries. |
7152232.cif |
| 37728 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 7152232 via cif-deposit CGI script. |
7152232.cif |
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Users of the data should acknowledge the original authors of the
structural data.