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Information card for entry 2236846
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| Coordinates | 2236846.cif |
|---|---|
| Structure factors | 2236846.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | (1,5-Diphenylthiocarbazonato-κ<i>S</i>)trimethyltin(IV) |
|---|---|
| Formula | C16 H20 N4 S Sn |
| Calculated formula | C16 H20 N4 S Sn |
| SMILES | [Sn](S/C(=N\Nc1ccccc1)N=Nc1ccccc1)(C)(C)C |
| Title of publication | (1,5-Diphenylthiocarbazonato-κ<i>S</i>)trimethyltin(IV) |
| Authors of publication | Von Eschwege, Karel G.; Swarts, Jannie C.; Aquino, Manuel A. S.; Cameron, T. Stanley |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 12 |
| Pages of publication | m1518 |
| a | 11.1058 ± 0.0004 Å |
| b | 7.2672 ± 0.0003 Å |
| c | 22.5024 ± 0.0009 Å |
| α | 90° |
| β | 101.012 ± 0.0011° |
| γ | 90° |
| Cell volume | 1782.69 ± 0.12 Å3 |
| Cell temperature | 223.1 K |
| Ambient diffraction temperature | 223.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0271 |
| Weighted residual factors for all reflections included in the refinement | 0.0272 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71075 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. |
2236846.cif 2236846.hkl |
| 181290 | 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 2/23/68. |
2236846.cif 2236846.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2236846.cif 2236846.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236846.cif 2236846.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. | 2236846.cif 2236846.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236846.cif 2236846.hkl |
| 71097 | 2013-01-18 | cif/ Adding structures of 2236846 via cif-deposit CGI script. |
2236846.cif |
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Users of the data should acknowledge the original authors of the
structural data.