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Information card for entry 2233517
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| Coordinates | 2233517.cif |
|---|---|
| Structure factors | 2233517.hkl |
| Original IUCr paper | HTML |
| Chemical name | [3-Methoxy-1-(phenylsulfanyl)propyl]triphenyltin(IV) benzene 0.17-solvate |
|---|---|
| Formula | C29 H29 O S Sn |
| Calculated formula | C29 H29 O S Sn |
| SMILES | O(C)CCC([Sn](c1ccccc1)(c1ccccc1)c1ccccc1)Sc1ccccc1.c1ccccc1 |
| Title of publication | [3-Methoxy-1-(phenylsulfanyl)propyl]triphenyltin(IV) benzene 0.17-solvate |
| Authors of publication | Ludwig, Gerd; Block, Michael; Wagner, Christoph; Steinborn, Dirk |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 2 |
| Pages of publication | m149 |
| a | 35.338 ± 0.003 Å |
| b | 35.338 ± 0.003 Å |
| c | 10.566 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 11426.8 ± 1.6 Å3 |
| Cell temperature | 220 ± 2 K |
| Ambient diffraction temperature | 220 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0415 |
| Residual factor for significantly intense reflections | 0.0291 |
| Weighted residual factors for all reflections | 0.0615 |
| Weighted residual factors for all reflections included in the refinement | 0.065 |
| Goodness-of-fit parameter for all reflections | 0.99 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181257 (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 2/23/35. |
2233517.cif 2233517.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. |
2233517.cif 2233517.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233517.cif 2233517.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. | 2233517.cif 2233517.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233517.cif 2233517.hkl |
| 38313 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2233517 via cif-deposit CGI script. |
2233517.cif |
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Users of the data should acknowledge the original authors of the
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