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Information card for entry 2020640
Preview
| Coordinates | 2020640.cif |
|---|---|
| Structure factors | 2020640.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[(μ-benzene-1,2-dicarboxylato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^){μ-1,2-bis[(1<i>H</i>-imidazol-1-yl)methyl]benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^}cobalt(II)] |
|---|---|
| Formula | C22 H18 Co N4 O4 |
| Calculated formula | C22 H18 Co N4 O4 |
| Title of publication | Structure and third-order nonlinear optical properties of the two-dimensional Co^II^ coordination polymer [Co(1,2-BIB)(PA)]~<i>n~</i> {1,2-BIB is 1,2-bis[(1<i>H</i>-imidazol-1-yl)methyl]benzene and H~2~PA is phthalic acid} |
| Authors of publication | Liu, Ping; Liu, Qiuxia; Zhao, Ning; An, Caixia; Lian, Zhaoxun |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 11 |
| Pages of publication | 890 - 894 |
| a | 12.4659 ± 0.0015 Å |
| b | 14.4336 ± 0.0017 Å |
| c | 11.849 ± 0.0015 Å |
| α | 90° |
| β | 115.366 ± 0.002° |
| γ | 90° |
| Cell volume | 1926.4 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0469 |
| Residual factor for significantly intense reflections | 0.0332 |
| Weighted residual factors for significantly intense reflections | 0.0802 |
| Weighted residual factors for all reflections included in the refinement | 0.0868 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 188947 (current) | 2016-12-06 | cif/ Updating files of 2020640 Original log message: Adding full bibliography for 2020640.cif. |
2020640.cif 2020640.hkl |
| 187527 | 2016-10-25 | cif/ hkl/ Adding structures of 2020640 via cif-deposit CGI script. |
2020640.cif 2020640.hkl |
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Users of the data should acknowledge the original authors of the
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