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Information card for entry 8103274
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| Coordinates | 8103274.cif |
|---|---|
| External links | PubChem |
| Formula | C14 H22 Co N4 O12 |
|---|---|
| Calculated formula | C14 H22 Co N4 O12 |
| Title of publication | Crystal structure of diaquabis(hydrogen 2-ethyl-1H-imidazole-4,5-dicarboxylato-k2N,O)cobalt(II) dihydrate, Co(H2O)2(C7H7N2O4)2 · 2H2O |
| Authors of publication | Xin-Yu Yang; Li-Yan Yang; Peng-Peng Lei; Jing Jing Shang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2012 |
| Journal volume | 227 |
| Journal issue | 1 |
| Pages of publication | 59 |
| a | 7.1485 ± 0.0008 Å |
| b | 8.8837 ± 0.0009 Å |
| c | 9.3461 ± 0.001 Å |
| α | 66.036 ± 0.001° |
| β | 88.452 ± 0.001° |
| γ | 70.882 ± 0.001° |
| Cell volume | 508.57 ± 0.09 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0479 |
| Residual factor for significantly intense reflections | 0.0452 |
| Weighted residual factors for significantly intense reflections | 0.1385 |
| Weighted residual factors for all reflections included in the refinement | 0.1419 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8103274.cif |
| 211175 | 2018-09-26 | cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8. |
8103274.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8103274.cif |
| 52239 | 2012-04-09 | ../uploads/cif-deposit/cod/cif Adding structures of 8103274 via cif-deposit CGI script. |
8103274.cif |
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Users of the data should acknowledge the original authors of the
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