Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2235128
Preview
| Coordinates | 2235128.cif |
|---|---|
| Structure factors | 2235128.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Amino-5-chloropyridinium <i>cis</i>-diaquadioxalatochromate(III) sesquihydrate |
|---|---|
| Formula | C9 H13 Cl Cr N2 O11.5 |
| Calculated formula | C9 H13 Cl Cr N2 O11.5 |
| SMILES | [Cr]12(OC(=O)C(=O)O1)(OC(=O)C(=O)O2)([OH2])[OH2].O.O.c1c(ccc(N)[nH+]1)Cl |
| Title of publication | 2-Amino-5-chloropyridinium <i>cis</i>-diaquadioxalatochromate(III) sesquihydrate |
| Authors of publication | Chérif, Ichraf; Abdelhak, Jawher; Zid, Mohamed Faouzi; Driss, Ahmed |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 6 |
| Pages of publication | m824 - m825 |
| a | 11.376 ± 0.002 Å |
| b | 53.041 ± 0.003 Å |
| c | 10.413 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6283.1 ± 1.7 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.0342 |
| Residual factor for significantly intense reflections | 0.0286 |
| Weighted residual factors for significantly intense reflections | 0.0712 |
| Weighted residual factors for all reflections included in the refinement | 0.0736 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181273 (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 2/23/51. |
2235128.cif 2235128.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. |
2235128.cif 2235128.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235128.cif 2235128.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. | 2235128.cif 2235128.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235128.cif 2235128.hkl |
| 61804 | 2012-07-05 | cif/ Adding structures of 2235128 via cif-deposit CGI script. |
2235128.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.