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Information card for entry 2206628
Preview
| Coordinates | 2206628.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | (2,6-diacetylpyridine bis(S-benzyldithiocarbazate-κ^5^N,N,N,S,S) dichloro tin(IV) |
|---|---|
| Formula | C25 H23 Cl2 N5 S4 Sn |
| Calculated formula | C25 H23 Cl2 N5 S4 Sn |
| SMILES | [n]12[Sn]345(Cl)([N](=C(c1cccc2C(C)=[N]3N=C(S5)SCc1ccccc1)C)N=C(S4)SCc1ccccc1)Cl |
| Title of publication | A seven-coordinated tin(IV) complex: dichloro[2,6-diacetylpyridine bis(<i>S</i>-benzyldithiocarbazato- κ^5^<i>S</i>,<i>N</i>,<i>N</i>',<i>N</i>'',<i>S</i>']tin(IV) |
| Authors of publication | Sousa, Gerimário F. de; Valdés Martínez, Jesús; Hernández-Ortega, Simón |
| Journal of publication | Acta Crystallographica, Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 9 |
| Pages of publication | o2921 - o2923 |
| a | 7.6309 ± 0.0005 Å |
| b | 15.724 ± 0.001 Å |
| c | 23.972 ± 0.002 Å |
| α | 90° |
| β | 93.235 ± 0.001° |
| γ | 90° |
| Cell volume | 2871.7 ± 0.3 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0395 |
| Residual factor for significantly intense reflections | 0.0309 |
| Weighted residual factors for significantly intense reflections | 0.0568 |
| Weighted residual factors for all reflections included in the refinement | 0.0585 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.935 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176774 (current) | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/20. |
2206628.cif |
| 91933 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs. |
2206628.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2206628.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
2206628.cif |
| 853 | 2009-11-16 | cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion. |
2206628.cif |
| 326 | 2008-04-03 | Adding all Acta Cryst. B, C, and E missing retrospective CIF files up to 2008 February, generated from the files that were automatically downloaded from the IUCr site. |
2206628.cif |
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Users of the data should acknowledge the original authors of the
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