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Information card for entry 2233199
Preview
| Coordinates | 2233199.cif |
|---|---|
| Structure factors | 2233199.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis[6-(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine-2-carboxylato- κ^2^<i>N</i>,<i>O</i>]cobalt(II) dihydrate |
|---|---|
| Formula | C26 H20 Co N6 O6 |
| Calculated formula | C26 H20 Co N6 O6 |
| SMILES | C1(=O)c2cccc3c4[n](c5c(cccc5)[nH]4)[Co]45([n]23)([n]2c(C(=O)O5)cccc2c2[n]4c3c(cccc3)[nH]2)O1.O.O |
| Title of publication | Bis[6-(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>]cobalt(II) dihydrate |
| Authors of publication | Han, Liying; Sun, Dajun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | m74 |
| a | 9.8602 ± 0.0005 Å |
| b | 20.3681 ± 0.0011 Å |
| c | 13.1069 ± 0.0007 Å |
| α | 90° |
| β | 111.453 ± 0.001° |
| γ | 90° |
| Cell volume | 2449.9 ± 0.2 Å3 |
| Cell temperature | 185 ± 2 K |
| Ambient diffraction temperature | 185 ± 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 | 0.0628 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.1396 |
| Weighted residual factors for all reflections included in the refinement | 0.1501 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| 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. |
2233199.cif 2233199.hkl |
| 181253 | 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 2/23/31. |
2233199.cif 2233199.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. |
2233199.cif 2233199.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233199.cif 2233199.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. | 2233199.cif 2233199.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233199.cif 2233199.hkl |
| 32258 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233199 via cif-deposit CGI script. |
2233199.cif |
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Users of the data should acknowledge the original authors of the
structural data.