Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2230455
Preview
| Coordinates | 2230455.cif |
|---|---|
| Structure factors | 2230455.hkl |
| Original IUCr paper | HTML |
| Chemical name | Triethylammonium tetrachlorido(pyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)stannate(IV) |
|---|---|
| Formula | C11 H19 Cl4 N3 O2 Sn |
| Calculated formula | C11 H19 Cl4 N3 O2 Sn |
| SMILES | [Sn]1(Cl)(Cl)(Cl)(Cl)OC(=O)c2[n]1ccnc2.[NH+](CC)(CC)CC |
| Title of publication | Triethylammonium tetrachlorido(pyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)stannate(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 | 6 |
| Pages of publication | m711 |
| a | 7.4497 ± 0.0002 Å |
| b | 9.9752 ± 0.0003 Å |
| c | 12.3728 ± 0.0004 Å |
| α | 86.491 ± 0.002° |
| β | 80.125 ± 0.003° |
| γ | 83.817 ± 0.002° |
| Cell volume | 899.7 ± 0.05 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 | 0.0246 |
| Residual factor for significantly intense reflections | 0.0218 |
| Weighted residual factors for significantly intense reflections | 0.0501 |
| Weighted residual factors for all reflections included in the refinement | 0.0518 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181226 (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 2/23/04. |
2230455.cif 2230455.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. |
2230455.cif 2230455.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230455.cif 2230455.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. | 2230455.cif 2230455.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230455.cif 2230455.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230455.cif 2230455.hkl |
| 22442 | 2011-07-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230455 via cif-deposit CGI script. |
2230455.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.