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Information card for entry 2019860
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| Coordinates | 2019860.cif |
|---|---|
| Structure factors | 2019860.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetraaquabis[2-(2-nitrophenyl)acetato-κ<i>O</i>]cobalt(II) |
|---|---|
| Formula | C16 H20 Co N2 O12 |
| Calculated formula | C16 H20 Co N2 O12 |
| SMILES | N(=O)(=O)c1c(CC(=O)O[Co](OC(=O)Cc2ccccc2N(=O)=O)([OH2])([OH2])([OH2])[OH2])cccc1 |
| Title of publication | Tetraaquabis[2-(2-nitrophenyl)acetato-κO]cobalt(II) |
| Authors of publication | Danish, Muhammad; Tahir, Muhammad Nawaz; Iftikhar, Sana; Raza, Muhammad Asam; Ashfaq, Muhammad |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 3 |
| Pages of publication | m59 |
| a | 5.4431 ± 0.0003 Å |
| b | 6.4313 ± 0.0004 Å |
| c | 28.5697 ± 0.0015 Å |
| α | 90° |
| β | 92.762 ± 0.002° |
| γ | 90° |
| Cell volume | 998.96 ± 0.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0323 |
| Residual factor for significantly intense reflections | 0.0277 |
| Weighted residual factors for significantly intense reflections | 0.0677 |
| Weighted residual factors for all reflections included in the refinement | 0.0704 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181868 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/98. |
2019860.cif 2019860.hkl |
| 180866 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/98. |
2019860.cif 2019860.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019860.cif 2019860.hkl |
| 131679 | 2015-02-11 | cif/ hkl/ Adding structures of 2019860 via cif-deposit CGI script. |
2019860.cif 2019860.hkl |
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Users of the data should acknowledge the original authors of the
structural data.