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Information card for entry 7113563
Preview
| Coordinates | 7113563.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H26 F18 O6 Sn2 |
|---|---|
| Calculated formula | C44 H26 F18 O6 Sn2 |
| SMILES | c1(ccccc1)[Sn]1(c2ccccc2)([OH][Sn](c2ccccc2)(c2ccccc2)([OH]1)OC(=O)c1c(cc(cc1C(F)(F)F)C(F)(F)F)C(F)(F)F)OC(=O)c1c(cc(cc1C(F)(F)F)C(F)(F)F)C(F)(F)F |
| Title of publication | First example of a Sn‒C bond cleaved product in the reaction of Ph3SnOSnPh3 with carboxylic acids. 3D-Supramolecular network formation in the X-ray crystal structure of [Ph2Sn(OH)OC(O)(Rf)]2, Rf = 2,4,6-(CF3)3C6H2 |
| Authors of publication | Chandrasekhar, Vadapalli; Nagendran, Selvarajan; Gopal, Kandasamy; Steiner, Alexander; Zacchini, Stefano |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2003 |
| Journal issue | 7 |
| Pages of publication | 862 - 863 |
| a | 14.2793 ± 0.0006 Å |
| b | 8.4503 ± 0.0004 Å |
| c | 19.1407 ± 0.0008 Å |
| α | 90° |
| β | 102.737 ± 0.001° |
| γ | 90° |
| Cell volume | 2252.77 ± 0.17 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0225 |
| Residual factor for significantly intense reflections | 0.0214 |
| Weighted residual factors for significantly intense reflections | 0.0572 |
| Weighted residual factors for all reflections included in the refinement | 0.0578 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7104043 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210711 (current) | 2018-09-10 | cif/7/ Updating bibliography in entries 7104043, 7113563. Marking entry 7113563 as a duplicate of entry 7104043. |
7113563.cif |
| 180249 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/35. |
7113563.cif |
| 115132 | 2014-06-02 | cif/ Adding structures of 7113563 via cif-deposit CGI script. |
7113563.cif |
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