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Information card for entry 2233308
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| Coordinates | 2233308.cif |
|---|---|
| Structure factors | 2233308.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diaquabis(5-methyl-1,2-oxazole-3-carboxylato- κ^2^<i>N</i>,<i>O</i>^3^)cobalt(II) dihydrate |
|---|---|
| Formula | C10 H16 Co N2 O10 |
| Calculated formula | C10 H16 Co N2 O10 |
| SMILES | c1(cc2C(=O)O[Co]3([n]2o1)([OH2])([n]1c(cc(C)o1)C(=O)O3)[OH2])C.O.O |
| Title of publication | Diaquabis(5-methyl-1,2-oxazole-3-carboxylato-κ^2^<i>N</i>,<i>O</i>^3^)cobalt(II) dihydrate |
| Authors of publication | Wang, Yan; Zhao, Jing |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | m69 |
| a | 5.26 ± 0.003 Å |
| b | 18.528 ± 0.01 Å |
| c | 8.077 ± 0.004 Å |
| α | 90° |
| β | 103.707 ± 0.006° |
| γ | 90° |
| Cell volume | 764.7 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0323 |
| Residual factor for significantly intense reflections | 0.0283 |
| Weighted residual factors for significantly intense reflections | 0.0745 |
| Weighted residual factors for all reflections included in the refinement | 0.0778 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181255 (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 2/23/33. |
2233308.cif 2233308.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. |
2233308.cif 2233308.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233308.cif 2233308.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. | 2233308.cif 2233308.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233308.cif 2233308.hkl |
| 32374 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233308 via cif-deposit CGI script. |
2233308.cif |
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Users of the data should acknowledge the original authors of the
structural data.