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Information card for entry 2232935
Preview
| Coordinates | 2232935.cif |
|---|---|
| Structure factors | 2232935.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[triphenyltin(IV)]-μ-3-methylphenylseleninato- κ^2^<i>O</i>:<i>O</i>'] |
|---|---|
| Formula | C25 H22 O2 Se Sn |
| Calculated formula | C25 H22 O2 Se Sn |
| SMILES | [Sn](O[Se](=O)c1cc(ccc1)C)(c1ccccc1)(c1ccccc1)(c1ccccc1)[O]=[Se](c1cc(ccc1)C)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | <i>catena</i>-Poly[[triphenyltin(IV)]-μ-3-methylphenylseleninato-κ^2^<i>O</i>:<i>O</i>'] |
| Authors of publication | Ru, Jing; Zhang, Rufen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1809 |
| a | 12.3293 ± 0.0011 Å |
| b | 14.3519 ± 0.0016 Å |
| c | 12.2865 ± 0.0013 Å |
| α | 90° |
| β | 94.324 ± 0.001° |
| γ | 90° |
| Cell volume | 2167.9 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.0813 |
| Weighted residual factors for all reflections included in the refinement | 0.0966 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181251 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/29. |
2232935.cif 2232935.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2232935.cif 2232935.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232935.cif 2232935.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. | 2232935.cif 2232935.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232935.cif 2232935.hkl |
| 31821 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232935 via cif-deposit CGI script. |
2232935.cif |
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Users of the data should acknowledge the original authors of the
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