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Information card for entry 2228062
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| Coordinates | 2228062.cif |
|---|---|
| Structure factors | 2228062.hkl |
| Original IUCr paper | HTML |
| Chemical name | hexaaquacobalt(II) 7-oxo-8-(2-phenylhydrazin-1-ylidene)-7,8-dihydronaphthalene-1,3-disulfonate tetrahydrate |
|---|---|
| Formula | C16 H30 Co N2 O17 S2 |
| Calculated formula | C16 H30 Co N2 O17 S2 |
| SMILES | [Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].S(=O)(=O)([O-])c1c2C(=N\Nc3ccccc3)\C(=O)C=Cc2cc(S(=O)(=O)[O-])c1.O.O.O.O |
| Title of publication | The cobalt(II) salt of the azo dye Orange G |
| Authors of publication | Kennedy, Alan R.; McKellar, Scott C.; Okoth, Maurice O. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 10 |
| Pages of publication | m1330 - m1331 |
| a | 10.0768 ± 0.0003 Å |
| b | 14.6463 ± 0.0005 Å |
| c | 26.3881 ± 0.0008 Å |
| α | 93.47 ± 0.002° |
| β | 90.813 ± 0.001° |
| γ | 101.175 ± 0.001° |
| Cell volume | 3812.4 ± 0.2 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1022 |
| Residual factor for significantly intense reflections | 0.056 |
| Weighted residual factors for significantly intense reflections | 0.1275 |
| Weighted residual factors for all reflections included in the refinement | 0.1504 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181201 (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 2/22/80. |
2228062.cif 2228062.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. |
2228062.cif 2228062.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228062.cif 2228062.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. | 2228062.cif 2228062.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228062.cif 2228062.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2228062.cif 2228062.hkl |
| 5099 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2228062 via cif-deposit CGI script. |
2228062.cif |
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Users of the data should acknowledge the original authors of the
structural data.