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Information card for entry 2202030
Preview
| Coordinates | 2202030.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | aquatrifluoroacetatotriphenyltin.2,2'-bipyridine |
|---|---|
| Formula | C30 H25 F3 N2 O3 Sn |
| Calculated formula | C30 H25 F3 N2 O3 Sn |
| SMILES | [Sn](OC(=O)C(F)(F)F)([OH2])(c1ccccc1)(c1ccccc1)c1ccccc1.n1ccccc1c1ncccc1 |
| Title of publication | Aqua(trifluoroacetato)triphenyltin‒2,2'-bipyridine (2/2) |
| Authors of publication | Chee, Chin Fei; Lo, Kong Mun; Ng, Seik Weng |
| Journal of publication | Acta Crystallographica, Section E: Structure Reports Online |
| Year of publication | 2003 |
| Journal volume | 59 |
| Journal issue | 4 |
| Pages of publication | m205 - m206 |
| a | 11.556 ± 0.001 Å |
| b | 11.662 ± 0.001 Å |
| c | 12.387 ± 0.001 Å |
| α | 101.524 ± 0.001° |
| β | 101.037 ± 0.001° |
| γ | 117.313 ± 0.001° |
| Cell volume | 1374.3 ± 0.2 Å3 |
| Cell temperature | 168 ± 2 K |
| Ambient diffraction temperature | 168 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.034 |
| Residual factor for significantly intense reflections | 0.028 |
| Weighted residual factors for significantly intense reflections | 0.068 |
| Weighted residual factors for all reflections included in the refinement | 0.077 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 2238962 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218375 (current) | 2019-09-17 | cif/2/20/20/ Marked entry 2202030 as a duplicate of entry 2238962. Copied multiple data item from entry 2238962 to entry 2202030. |
2202030.cif |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2202030.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2202030.cif |
| 19857 | 2011-05-30 | cif/2 Fixing a few minor mistakes detected when building SMILES and updating SQL data. |
2202030.cif |
| 19856 | 2011-05-29 | smi/2 Adding several SMILES with atoms in special positions. A few cifs also fixed for minor errors. |
2202030.cif |
| 5310 | 2011-01-02 | cif/ Running cif_fix_enum with the core CIF dictionary on COD ranges 2, 8 and 9. Range 9 remained unchanged, and in ranges 2 and 8 there were 17309 modified files, most changes were fixes enumerator case. |
2202030.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
2202030.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
2202030.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
2202030.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
2202030.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
2202030.cif |
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Users of the data should acknowledge the original authors of the
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