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Information card for entry 2230976
Preview
| Coordinates | 2230976.cif |
|---|---|
| Structure factors | 2230976.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetraaquabis(2-methyl-1<i>H</i>-benzimidazolium- 1,3-diacetato-κ<i>O</i>)cobalt(II) tetrahydrate |
|---|---|
| Formula | C24 H38 Co N4 O16 |
| Calculated formula | C24 H38 Co N4 O16 |
| SMILES | c1(C)n(c2c(cccc2)[n+]1CC(=O)[O-])CC(=O)O[Co]([OH2])([OH2])(OC(=O)Cn1c(C)[n+](c2c1cccc2)CC(=O)[O-])([OH2])[OH2].O.O.O.O |
| Title of publication | \ Tetraaquabis(2-methyl-1<i>H</i>-benzimidazolium-1,3-diacetato-κ<i>O</i>)\ cobalt(II) tetrahydrate |
| Authors of publication | Feng, Xiu-Ling; Zhang, Yu-Ping |
| Journal of publication | Acta Crystallographica, Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 9 |
| Pages of publication | m1170 - m1170 |
| a | 7.293 ± 0.0007 Å |
| b | 21.24 ± 0.002 Å |
| c | 9.8123 ± 0.0011 Å |
| α | 90° |
| β | 104.907 ± 0.001° |
| γ | 90° |
| Cell volume | 1468.8 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.058 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.0946 |
| Weighted residual factors for all reflections included in the refinement | 0.1027 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.959 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181886 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/09 |
2230976.cif 2230976.hkl |
| 181231 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/09. |
2230976.cif 2230976.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2230976.cif 2230976.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230976.cif 2230976.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230976.cif 2230976.hkl |
| 24362 | 2011-08-21 | ../uploads/cif-deposit/cod/hkl Adding Fobs of 2230976 via cif-deposit CGI script. |
2230976.cif 2230976.hkl |
| 24361 | 2011-08-21 | ../uploads/cif-deposit/cod/cif Adding structures of 2230976 via cif-deposit CGI script. |
2230976.cif |
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Users of the data should acknowledge the original authors of the
structural data.