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Information card for entry 2233193
Preview
| Coordinates | 2233193.cif |
|---|---|
| Structure factors | 2233193.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | Bis(4-fluorobenzyl)bis(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4- thiodiazole-2-thiolato)tin(IV) |
|---|---|
| Formula | C30 H22 F2 N4 S6 Sn |
| Calculated formula | C30 H22 F2 N4 S6 Sn |
| SMILES | [Sn](SC1=NN(C(=S)S1)c1ccccc1)(SC1=NN(C(=S)S1)c1ccccc1)(Cc1ccc(F)cc1)Cc1ccc(F)cc1 |
| Title of publication | Bis(4-fluorobenzyl)bis(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiodiazole-2-thiolato)tin(IV) |
| Authors of publication | Li, Lei; Zeng, Suyuan; Yan, Nana |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | m83 |
| a | 10.856 ± 0.001 Å |
| b | 12.5901 ± 0.0013 Å |
| c | 13.3741 ± 0.0015 Å |
| α | 80.278 ± 0.002° |
| β | 66.686 ± 0.001° |
| γ | 77.918 ± 0.001° |
| Cell volume | 1634 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.1533 |
| Residual factor for significantly intense reflections | 0.0598 |
| Weighted residual factors for significantly intense reflections | 0.083 |
| Weighted residual factors for all reflections included in the refinement | 0.102 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.833 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2233193.cif 2233193.hkl |
| 181253 | 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 2/23/31. |
2233193.cif 2233193.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. |
2233193.cif 2233193.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233193.cif 2233193.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. | 2233193.cif 2233193.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233193.cif 2233193.hkl |
| 32252 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233193 via cif-deposit CGI script. |
2233193.cif |
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Users of the data should acknowledge the original authors of the
structural data.