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Information card for entry 2228645
Preview
| Coordinates | 2228645.cif |
|---|---|
| Structure factors | 2228645.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[triethylammonium [[triphenyltin(IV)]-μ-2,2'-dihydroxy-4,4'-methylenedi-2-naphthoato]] |
|---|---|
| Formula | C47 H45 N O6 Sn |
| Calculated formula | C47 H45 N O6 Sn |
| SMILES | [Sn](c1ccccc1)(c1ccccc1)(c1ccccc1)(OC(=O)c1cc2c(cccc2)c(c1O)Cc1c(O)c(cc3c1cccc3)C(=O)O[Sn](c3ccccc3)(c3ccccc3)c3ccccc3)OC(=O)c1cc2c(cccc2)c(c1O)Cc1c(O)c(cc3c1cccc3)C(=O)[O-].[NH+](CC)(CC)CC.[NH+](CC)(CC)CC |
| Title of publication | <i>catena</i>-Poly[triethylammonium [[triphenyltin(IV)]-μ-3,3'-dihydroxy-4,4'-methylenedi-2-naphthoato]] |
| Authors of publication | Liu, Lijun; Gong, Shuwen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 1 |
| Pages of publication | m122 |
| a | 13.259 ± 0.0014 Å |
| b | 16.3231 ± 0.0016 Å |
| c | 19.166 ± 0.002 Å |
| α | 90° |
| β | 98.58 ± 0.002° |
| γ | 90° |
| Cell volume | 4101.6 ± 0.7 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0911 |
| Residual factor for significantly intense reflections | 0.0697 |
| Weighted residual factors for significantly intense reflections | 0.1682 |
| Weighted residual factors for all reflections included in the refinement | 0.1824 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181207 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/86. |
2228645.cif 2228645.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228645.cif 2228645.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228645.cif 2228645.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2228645.cif 2228645.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228645.cif 2228645.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228645.cif 2228645.hkl |
| 9773 | 2011-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 2228645 via cif-deposit CGI script. |
2228645.cif |
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