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Information card for entry 2234335
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| Coordinates | 2234335.cif |
|---|---|
| Structure factors | 2234335.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diaquabis(pyrazine-2-carboxamide-κ^2^<i>N</i>^1^,<i>O</i>)cobalt(II) dinitrate |
|---|---|
| Formula | C10 H14 Co N8 O10 |
| Calculated formula | C10 H14 Co N8 O10 |
| SMILES | c1cncc2C(N)=[O][Co]3([n]12)([n]1ccncc1C(N)=[O]3)([OH2])[OH2].N(=O)(=O)[O-].N(=O)(=O)[O-] |
| Title of publication | Diaquabis(pyrazine-2-carboxamide-κ^2^<i>N</i>^1^,<i>O</i>)cobalt(II) dinitrate |
| Authors of publication | Pannu, Ajay Pal Singh; Lee, Seona; Lee, Yongjae |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | m512 - m513 |
| a | 10.149 ± 0.005 Å |
| b | 6.715 ± 0.003 Å |
| c | 13.08 ± 0.005 Å |
| α | 90° |
| β | 104.397 ± 0.004° |
| γ | 90° |
| Cell volume | 863.4 ± 0.7 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.0349 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for all reflections included in the refinement | 0.0971 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181265 (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 2/23/43. |
2234335.cif 2234335.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. |
2234335.cif 2234335.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234335.cif 2234335.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. | 2234335.cif 2234335.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234335.cif 2234335.hkl |
| 55606 | 2012-05-05 | cif/ Adding structures of 2234335 via cif-deposit CGI script. |
2234335.cif |
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Users of the data should acknowledge the original authors of the
structural data.