Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2231529
Preview
| Coordinates | 2231529.cif |
|---|---|
| Structure factors | 2231529.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(benzyltrimethylammonium) tetrabromidocuprate(II) |
|---|---|
| Formula | C20 H32 Br4 Cu N2 |
| Calculated formula | C20 H32 Br4 Cu N2 |
| SMILES | [Br-][Cu](Br)(Br)[Br-].C[N+](C)(C)Cc1ccccc1.C[N+](C)(C)Cc1ccccc1 |
| Title of publication | Bis(benzyltrimethylammonium) tetrabromidocuprate(II) |
| Authors of publication | Jin, Lei; Liu, Ning; Li, Yong-Jun; Wu, De-Hong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 9 |
| Pages of publication | m1325 |
| a | 9.1908 ± 0.0008 Å |
| b | 9.6697 ± 0.0019 Å |
| c | 29.0243 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2579.5 ± 0.6 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 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 | 0.1075 |
| Residual factor for significantly intense reflections | 0.0629 |
| Weighted residual factors for significantly intense reflections | 0.1503 |
| Weighted residual factors for all reflections included in the refinement | 0.1723 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181237 (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 2/23/15. |
2231529.cif 2231529.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. |
2231529.cif 2231529.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231529.cif 2231529.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. | 2231529.cif 2231529.hkl |
| 27934 | 2011-10-07 | hkl/ Ading Fonst files assigned to the recently deposited IUCr coordinates. |
2231529.cif 2231529.hkl |
| 27658 | 2011-10-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2231529 via cif-deposit CGI script. |
2231529.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.