Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2227033
Preview
| Coordinates | 2227033.cif |
|---|---|
| Structure factors | 2227033.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[μ-aqua-μ-hydroxido-di-μ-oxalato-chromium(III)disodium] monohydrate] |
|---|---|
| Formula | C8 H10 Cr2 Na4 O22 |
| Calculated formula | C8 H10 Cr2 Na4 O22 |
| SMILES | [Cr]123(OC(=O)C(=O)O1)(OC(=O)C(=O)O2)[OH][Cr]12(OC(=O)C(=O)O1)(OC(=O)C(=O)O2)[OH]3.[Na+].[Na+].O.O.[Na+].[Na+].O.O |
| Title of publication | {[Na1(μ-H~2~O)Na2]~2~[(C~2~O~4~)~2~Cr(μ-OH)~2~Cr(C~2~O~4~)~2~]·H~2~O}~<i>n~</i>, a novel hydrated form |
| Authors of publication | Bélombé, Michel M.; Nenwa, Justin; Ngouné, Jean; Álvarez, Eleuterio; Galindo, Agustín |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 8 |
| Pages of publication | m990 - m991 |
| a | 9.4776 ± 0.001 Å |
| b | 8.603 ± 0.001 Å |
| c | 12.5353 ± 0.0014 Å |
| α | 90° |
| β | 102.503 ± 0.002° |
| γ | 90° |
| Cell volume | 997.84 ± 0.19 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0645 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.1088 |
| Weighted residual factors for all reflections included in the refinement | 0.1329 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.144 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183154 (current) | 2016-05-30 | cif/2 Fixing a few Z values and formulae |
2227033.cif 2227033.hkl |
| 181191 | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/70. |
2227033.cif 2227033.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2227033.cif 2227033.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227033.cif 2227033.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. | 2227033.cif 2227033.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227033.cif 2227033.hkl |
| 1704 | 2010-11-03 | hkl/2/ Adding Fobs files for the recently deposited IUCr data. |
2227033.cif 2227033.hkl |
| 1553 | 2010-10-08 | cif/2/ Adding data from Acta-Cryst-E-2010_08/. |
2227033.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.