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Information card for entry 2231348
Preview
| Coordinates | 2231348.cif |
|---|---|
| Structure factors | 2231348.hkl |
| Original IUCr paper | HTML |
| Chemical name | Triaqua(7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato- κ^3^<i>O</i>^2^,<i>O</i>^3^,<i>O</i>^7^)cobalt(II) monohydrate |
|---|---|
| Formula | C8 H16 Co O9 |
| Calculated formula | C8 H16 Co O9 |
| SMILES | [Co]12(OC(=O)[C@H]3[C@H]4[O]2[C@@H]([C@H]3C(=O)O1)CC4)([OH2])([OH2])[OH2].O |
| Title of publication | Triaqua(7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato-κ^3^<i>O</i>^2^,<i>O</i>^3^,<i>O</i>^7^)cobalt(II) monohydrate |
| Authors of publication | Zhang, Fan; Jia, Ai-Ping; Lin, Qiu-Yue |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 8 |
| Pages of publication | m1119 - m1120 |
| a | 10.0965 ± 0.0003 Å |
| b | 10.0208 ± 0.0003 Å |
| c | 14.5893 ± 0.0003 Å |
| α | 90° |
| β | 129.177 ± 0.001° |
| γ | 90° |
| Cell volume | 1144.25 ± 0.06 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0234 |
| Weighted residual factors for significantly intense reflections | 0.0627 |
| Weighted residual factors for all reflections included in the refinement | 0.0633 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181235 (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 2/23/13. |
2231348.cif 2231348.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. |
2231348.cif 2231348.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231348.cif 2231348.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. | 2231348.cif 2231348.hkl |
| 27511 | 2011-10-06 | hkl/ Committing assigned Fobs data for the recently deposited coordinates from IUCr journals. |
2231348.cif 2231348.hkl |
| 27265 | 2011-09-29 | ../uploads/cif-deposit/cod/cif Adding structures of 2231348 via cif-deposit CGI script. |
2231348.cif |
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Users of the data should acknowledge the original authors of the
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