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Information card for entry 2228450
Preview
| Coordinates | 2228450.cif |
|---|---|
| Structure factors | 2228450.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetraaquadiazidocobalt(II) 3,3'-dicarboxylato-1,1'-ethylenedipyridinium |
|---|---|
| Formula | C14 H20 Co N8 O8 |
| Calculated formula | C14 H20 Co N8 O8 |
| SMILES | C(=O)(c1ccc[n+](c1)CC[n+]1cc(C(=O)[O-])ccc1)[O-].[OH2][Co](N=N#N)(N=N#N)([OH2])([OH2])[OH2] |
| Title of publication | Tetraaquadiazidocobalt(II) 3,3'-dicarboxylato-1,1'-ethylenedipyridinium |
| Authors of publication | Wen, Yan-Qing; Tian, Chun-Yan; Gao, En-Qing |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | m1566 - m1567 |
| a | 7.4309 ± 0.0006 Å |
| b | 7.7507 ± 0.0007 Å |
| c | 8.5582 ± 0.0007 Å |
| α | 95.463 ± 0.002° |
| β | 90.586 ± 0.002° |
| γ | 95.011 ± 0.002° |
| Cell volume | 488.71 ± 0.07 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0237 |
| Residual factor for significantly intense reflections | 0.0236 |
| Weighted residual factors for significantly intense reflections | 0.0736 |
| Weighted residual factors for all reflections included in the refinement | 0.0737 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181205 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/84. |
2228450.cif 2228450.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228450.cif 2228450.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228450.cif 2228450.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. | 2228450.cif 2228450.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228450.cif 2228450.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228450.cif 2228450.hkl |
| 5788 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228442, 2228443, 2228444, 2228445, 2228446, 2228447, 2228448, 2228449, 2228450, 2228451 via cif-deposit CGI script. |
2228450.cif |
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Users of the data should acknowledge the original authors of the
structural data.