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Information card for entry 2228662
Preview
| Coordinates | 2228662.cif |
|---|---|
| Structure factors | 2228662.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')(sulfato- κ^2^<i>O</i>,<i>O</i>')cobalt(II) ethane-1,2-diol monosolvate |
|---|---|
| Formula | C22 H22 Co N4 O6 S |
| Calculated formula | C22 H22 Co N4 O6 S |
| SMILES | c1cccc2c3cccc[n]3[Co]34([n]12)([n]1ccccc1c1cccc[n]31)OS(=O)(=O)O4.OCCO |
| Title of publication | Bis(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ^2^<i>O</i>,<i>O</i>')cobalt(II) ethane-1,2-diol monosolvate |
| Authors of publication | Zhong, Kai-Long; Pan, Xian-Xiao; Cao, Guo-Qing; Chen, Lin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 1 |
| Pages of publication | m43 |
| a | 16.916 ± 0.003 Å |
| b | 11.913 ± 0.002 Å |
| c | 12.87 ± 0.003 Å |
| α | 90° |
| β | 122.16 ± 0.03° |
| γ | 90° |
| Cell volume | 2195.6 ± 1 Å3 |
| Cell temperature | 223.15 K |
| Ambient diffraction temperature | 223.15 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0484 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.0807 |
| Weighted residual factors for all reflections included in the refinement | 0.0854 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181207 (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 2/22/86. |
2228662.cif 2228662.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. |
2228662.cif 2228662.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228662.cif 2228662.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. | 2228662.cif 2228662.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228662.cif 2228662.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228662.cif 2228662.hkl |
| 9794 | 2011-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 2228662 via cif-deposit CGI script. |
2228662.cif |
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Users of the data should acknowledge the original authors of the
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