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Information card for entry 2240891
Preview
| Coordinates | 2240891.cif |
|---|---|
| Structure factors | 2240891.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>catena</i>-Poly[[diaquacobalt(II)]-bis[μ-5-(4-carboxylatophenyl)picolinato]-κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^5^;κ^3^<i>O</i>^5^:<i>N</i>,<i>O</i>^2^-[diaquacobalt(II)]-μ-1-[4-(1<i>H</i>-imidazol-1-yl)phenyl]-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^:<i>N</i>^3'^] |
|---|---|
| Formula | C19 H16 Co N3 O6 |
| Calculated formula | C19 H16 Co N3 O6 |
| SMILES | [Co]12([OH2])([OH2])([n]3cn(cc3)c3ccc(n4cncc4)cc3)OC(=O)c3ccc(cc3)c3c[n]4c(cc3)C(=O)O[Co]4(OC(=O)c3ccc(cc3)c3c[n]1c(cc3)C(=O)O2)([OH2])([OH2])[n]1cn(cc1)c1ccc(cc1)n1c[n](cc1)[Co]12([OH2])([OH2])OC(=O)c3ccc(cc3)c3c[n]4c(cc3)C(=O)O[Co]4(OC(=O)c3ccc(cc3)c3c[n]1c(cc3)C(=O)O2)([OH2])[OH2] |
| Title of publication | Crystal structure of <i>catena</i>-poly[[diaquacobalt(II)]-bis[μ-5-(4-carboxyylatophenyl)picolinato]-κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^5^;κ^3^<i>O</i>^5^:<i>N</i>,<i>O</i>^2^-[diaquacobalt(II)]-μ-1-[4-(1<i>H</i>-imidazol-1-yl)phenyl]-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^:<i>N</i>^3'^] |
| Authors of publication | Xu, Guo-Wang; Wang, Ye-Nan; Wang, Hai-Bing; Wang, Zhong-Long |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 7 |
| Pages of publication | m145 - m146 |
| a | 7.055 ± 0.003 Å |
| b | 7.19 ± 0.003 Å |
| c | 20.038 ± 0.01 Å |
| α | 80.25 ± 0.02° |
| β | 79.9 ± 0.02° |
| γ | 64.08 ± 0.015° |
| Cell volume | 895.1 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0445 |
| Residual factor for significantly intense reflections | 0.0378 |
| Weighted residual factors for significantly intense reflections | 0.0861 |
| Weighted residual factors for all reflections included in the refinement | 0.0899 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181908 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/08 |
2240891.cif 2240891.hkl |
| 139830 | 2015-07-01 | cif/ hkl/ Adding structures of 2240891 via cif-deposit CGI script. |
2240891.cif 2240891.hkl |
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Users of the data should acknowledge the original authors of the
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