Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2232082
Preview
| Coordinates | 2232082.cif |
|---|---|
| Structure factors | 2232082.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Ethylimidazolium terephthalate |
|---|---|
| Formula | C13 H14 N2 O4 |
| Calculated formula | C13 H14 N2 O4 |
| Title of publication | 2-Ethylimidazolium terephthalate |
| Authors of publication | Zhu, Run-Qiang; Yu, Chun-Hua |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 10 |
| Pages of publication | o2746 |
| a | 6.4587 ± 0.0013 Å |
| b | 7.0719 ± 0.0014 Å |
| c | 14.688 ± 0.003 Å |
| α | 78.6 ± 0.03° |
| β | 78.77 ± 0.03° |
| γ | 89.5 ± 0.03° |
| Cell volume | 644.7 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0803 |
| Residual factor for significantly intense reflections | 0.0603 |
| Weighted residual factors for significantly intense reflections | 0.1593 |
| Weighted residual factors for all reflections included in the refinement | 0.1713 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181242 (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 2/23/20. |
2232082.cif 2232082.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. |
2232082.cif 2232082.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232082.cif 2232082.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. | 2232082.cif 2232082.hkl |
| 29951 | 2011-11-08 | hkl/ Adding the most recent Fobs data from the IUCr journals. |
2232082.cif 2232082.hkl |
| 29376 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232082 via cif-deposit CGI script. |
2232082.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.