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Information card for entry 2229702
Preview
| Coordinates | 2229702.cif |
|---|---|
| Structure factors | 2229702.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(2,4-dichlorophenoxyacetato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)(5,5'- dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II) |
|---|---|
| Formula | C28 H22 Cl4 Co N2 O6 |
| Calculated formula | C28 H22 Cl4 Co N2 O6 |
| SMILES | c1(c(cc(cc1)Cl)Cl)OCC1=[O][Co]23([n]4cc(ccc4c4[n]2cc(cc4)C)C)(O1)[O]=C(COc1c(cc(cc1)Cl)Cl)O3 |
| Title of publication | Bis(2,4-dichlorophenoxyacetato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II) |
| Authors of publication | Ji, Li-Li; Liu, Jian-She; Song, Wen-Dong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 4 |
| Pages of publication | m493 |
| a | 13.397 ± 0.002 Å |
| b | 8.4152 ± 0.0014 Å |
| c | 13.752 ± 0.002 Å |
| α | 90° |
| β | 112.57 ± 0.003° |
| γ | 90° |
| Cell volume | 1431.6 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.0425 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.0836 |
| Weighted residual factors for all reflections included in the refinement | 0.1056 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.137 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181218 (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 2/22/97. |
2229702.cif 2229702.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. |
2229702.cif 2229702.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229702.cif 2229702.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. | 2229702.cif 2229702.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229702.cif 2229702.hkl |
| 19531 | 2011-05-17 | hkl/2/ Adding Fobs data for the latest IUCr deposition. |
2229702.cif 2229702.hkl |
| 19169 | 2011-05-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2229702 via cif-deposit CGI script. |
2229702.cif |
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Users of the data should acknowledge the original authors of the
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