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Information card for entry 2019511
Preview
| Coordinates | 2019511.cif |
|---|---|
| Structure factors | 2019511.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>catena</i>-Poly[[diaquabis[2-(pyridin-3-yl-κ<i>N</i>)-1<i>H</i>-benzimidazole]cobalt(II)]-μ~2~-benzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^] |
|---|---|
| Formula | C32 H26 Co N6 O6 |
| Calculated formula | C32 H26 Co N6 O6 |
| SMILES | [Co](OC(=O)c1ccc(cc1)C(=O)[O-])([OH2])([OH2])([n]1cccc(c1)c1nc2ccccc2[nH]1)([n]1cccc(c1)c1nc2ccccc2[nH]1)OC(=O)c1ccc(C(=O)O[Co]([OH2])([OH2])([n]2cccc(c2)c2nc3ccccc3[nH]2)[n]2cccc(c2)c2nc3ccccc3[nH]2)cc1 |
| Title of publication | Cd^II^ and Co^II^ coordination polymers constructed from benzene-1,4-dicarboxylic acid and 2-(pyridin-3-yl)-1<i>H</i>-benzimidazole ligands |
| Authors of publication | Chen, Xiao-Hua; Huang, Hua; Yang, Ming-Xing; Chen, Li-Juan; Lin, Shen |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 5 |
| Pages of publication | 488 - 492 |
| a | 11.46 ± 0.002 Å |
| b | 16.543 ± 0.003 Å |
| c | 14.674 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2781.9 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0413 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.107 |
| Weighted residual factors for all reflections included in the refinement | 0.1084 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181865 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/95. |
2019511.cif 2019511.hkl |
| 180863 | 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 2/01/95. |
2019511.cif 2019511.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. |
2019511.cif 2019511.hkl |
| 115939 | 2014-06-06 | cif/ Updating files of 2019510, 2019511 Original log message: Adding full bibliography for 2019510--2019511.cif. |
2019511.cif 2019511.hkl |
| 111640 | 2014-04-25 | cif/ hkl/ Adding structures of 2019510, 2019511 via cif-deposit CGI script. |
2019511.cif 2019511.hkl |
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