Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2231183
Preview
| Coordinates | 2231183.cif |
|---|---|
| Structure factors | 2231183.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[tris(2,4,6-trimethylanilinium) [(tetrachloridocadmium)-μ-chlorido]] |
|---|---|
| Formula | C27 H42 Cd Cl5 N3 |
| Calculated formula | C27 H42 Cd Cl5 N3 |
| SMILES | [Cd](Cl)(Cl)(Cl)(Cl)(Cl)[Cl][Cd](Cl)(Cl)(Cl)Cl.[NH3+]c1c(C)cc(cc1C)C.[NH3+]c1c(C)cc(cc1C)C.c1(c(cc(cc1C)C)C)[NH3+].[NH3+]c1c(C)cc(cc1C)C.[NH3+]c1c(C)cc(cc1C)C.c1(c(cc(cc1C)C)C)[NH3+] |
| Title of publication | <i>catena</i>-Poly[tris(2,4,6-trimethylanilinium) [(tetrachloridocadmium)-μ-chlorido]] |
| Authors of publication | Rong, Tao |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 8 |
| Pages of publication | m1139 |
| a | 10.729 ± 0.002 Å |
| b | 16.43 ± 0.003 Å |
| c | 17.996 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3172.3 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0368 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0662 |
| Weighted residual factors for all reflections included in the refinement | 0.0677 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181233 (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 2/23/11. |
2231183.cif 2231183.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. |
2231183.cif 2231183.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231183.cif 2231183.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. | 2231183.cif 2231183.hkl |
| 27511 | 2011-10-06 | hkl/ Committing assigned Fobs data for the recently deposited coordinates from IUCr journals. |
2231183.cif 2231183.hkl |
| 27091 | 2011-09-29 | ../uploads/cif-deposit/cod/cif Adding structures of 2231183 via cif-deposit CGI script. |
2231183.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.