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Information card for entry 2235588
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| Coordinates | 2235588.cif |
|---|---|
| Structure factors | 2235588.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>n</i>-Butyldichlorido{4-cyclohexyl-1-[1-(pyridin-2-yl- κ<i>N</i>)ethylidene]thiosemicarbazidato-κ^2^<i>N</i>^1^,<i>S</i>}tin(IV) |
|---|---|
| Formula | C18 H28 Cl2 N4 S Sn |
| Calculated formula | C18 H28 Cl2 N4 S Sn |
| SMILES | [Sn]12(Cl)(Cl)(SC(=N[N]2=C(c2[n]1cccc2)C)NC1CCCCC1)CCCC |
| Title of publication | <i>n</i>-Butyldichlorido{4-cyclohexyl-1-[1-(pyridin-2-yl-κ<i>N</i>)ethylidene]thiosemicarbazidato-κ^2^<i>N</i>^1^,<i>S</i>}tin(IV) |
| Authors of publication | Affan, Md. Abu; Salam, Md. Abdus; Asaruddin, Mohd Razip; Ng, Seik Weng; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 7 |
| Pages of publication | m909 - m910 |
| a | 12.1229 ± 0.0003 Å |
| b | 15.4518 ± 0.0004 Å |
| c | 23.6868 ± 0.0006 Å |
| α | 90° |
| β | 103.894 ± 0.003° |
| γ | 90° |
| Cell volume | 4307.2 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.044 |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for significantly intense reflections | 0.0792 |
| Weighted residual factors for all reflections included in the refinement | 0.0851 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181277 (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 2/23/55. |
2235588.cif 2235588.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. |
2235588.cif 2235588.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235588.cif 2235588.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. | 2235588.cif 2235588.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235588.cif 2235588.hkl |
| 64058 | 2012-08-11 | cif/ Adding structures of 2235588 via cif-deposit CGI script. |
2235588.cif |
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Users of the data should acknowledge the original authors of the
structural data.