Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2228979
Preview
| Coordinates | 2228979.cif |
|---|---|
| Structure factors | 2228979.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dimethyl(4'-pyridyl-2,2':6',2''-terpyridine- κ^3^<i>N</i>^1^,<i>N</i>^1'^,<i>N</i>^1''^)bis(thiocyanato-κ<i>N</i>)tin(IV) |
|---|---|
| Formula | C24 H20 N6 S2 Sn |
| Calculated formula | C24 H20 N6 S2 Sn |
| SMILES | [Sn]12([n]3ccccc3c3[n]1c(cc(c3)c1ccncc1)c1[n]2cccc1)(N=C=S)(N=C=S)(C)C |
| Title of publication | Dimethyl(4'-pyridyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>^1^,<i>N</i>^1'^,<i>N</i>^1''^)bis(thiocyanato-κ<i>N</i>)tin(IV) |
| Authors of publication | Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 2 |
| Pages of publication | m211 |
| a | 9.3269 ± 0.0003 Å |
| b | 10.5017 ± 0.0003 Å |
| c | 13.1503 ± 0.0004 Å |
| α | 66.814 ± 0.003° |
| β | 87.665 ± 0.003° |
| γ | 83.552 ± 0.002° |
| Cell volume | 1176.52 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0278 |
| Residual factor for significantly intense reflections | 0.0238 |
| Weighted residual factors for significantly intense reflections | 0.0552 |
| Weighted residual factors for all reflections included in the refinement | 0.0595 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181210 (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 2/22/89. |
2228979.cif 2228979.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. |
2228979.cif 2228979.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228979.cif 2228979.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. | 2228979.cif 2228979.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228979.cif 2228979.hkl |
| 14261 | 2011-03-09 | Adding the Fobs data for the recenty deposited IUCr structrures. | 2228979.cif 2228979.hkl |
| 11997 | 2011-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2228979 via cif-deposit CGI script. |
2228979.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.