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Information card for entry 2237425
Preview
| Coordinates | 2237425.cif |
|---|---|
| Structure factors | 2237425.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis(3-aminopyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)diaquacobalt(II) |
|---|---|
| Formula | C10 H12 Co N6 O6 |
| Calculated formula | C10 H12 Co N6 O6 |
| SMILES | c1cnc(c2C(=O)O[Co]3([OH2])([n]12)([n]1ccnc(c1C(=O)O3)N)[OH2])N |
| Title of publication | Bis(3-aminopyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)diaquacobalt(II) |
| Authors of publication | Bouchene, Rafika; Bouacida, Sofiane; Berrah, Fadila; Belhouas, Ratiba; Merazig, Hocine |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 2 |
| Pages of publication | m129 - m130 |
| a | 7.8823 ± 0.0002 Å |
| b | 12.7467 ± 0.0002 Å |
| c | 13.6851 ± 0.0003 Å |
| α | 90° |
| β | 91.918 ± 0.001° |
| γ | 90° |
| Cell volume | 1374.22 ± 0.05 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0636 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.0773 |
| Weighted residual factors for all reflections included in the refinement | 0.0824 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.919 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2237425.cif 2237425.hkl |
| 181296 | 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 2/23/74. |
2237425.cif 2237425.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. |
2237425.cif 2237425.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. | 2237425.cif 2237425.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237425.cif 2237425.hkl |
| 75448 | 2013-03-09 | cif/ Adding structures of 2237425 via cif-deposit CGI script. |
2237425.cif |
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Users of the data should acknowledge the original authors of the
structural data.