Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2228097
Preview
| Coordinates | 2228097.cif |
|---|---|
| Structure factors | 2228097.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tris(2-chlorobenzyl)(1<i>H</i>-1,2,4-triazole-5-thiolato-κ<i>S</i>)tin(IV)‒ tris(2-chlorobenzyl)(4<i>H</i>-1,2,4-triazole-3-thiolato-κ<i>S</i>)tin(IV) (1/1) |
|---|---|
| Formula | C23 H20 Cl3 N3 S Sn |
| Calculated formula | C23 H20 Cl3 N3 S Sn |
| Title of publication | Tris(2-chlorobenzyl)(1<i>H</i>-1,2,4-triazole-5-thiolato-κ<i>S</i>)tin(IV)‒tris(2-chlorobenzyl)(4<i>H</i>-1,2,4-triazole-3-thiolato-κ<i>S</i>)tin(IV) (1/1) |
| Authors of publication | Keng, Thy Chun; Lo, Kong Mun; Ng, Seik Weng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 9 |
| Pages of publication | m1064 |
| a | 9.696 ± 0.006 Å |
| b | 11.385 ± 0.005 Å |
| c | 23.67 ± 0.011 Å |
| α | 83.06 ± 0.02° |
| β | 79.2 ± 0.018° |
| γ | 68.559 ± 0.018° |
| Cell volume | 2385 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0416 |
| Residual factor for significantly intense reflections | 0.0341 |
| Weighted residual factors for significantly intense reflections | 0.0849 |
| Weighted residual factors for all reflections included in the refinement | 0.0905 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181201 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/80. |
2228097.cif 2228097.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228097.cif 2228097.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228097.cif 2228097.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. | 2228097.cif 2228097.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228097.cif 2228097.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2228097.cif 2228097.hkl |
| 5134 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2228097 via cif-deposit CGI script. |
2228097.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.