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Information card for entry 2020838
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| Coordinates | 2020838.cif |
|---|---|
| Structure factors | 2020838.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>catena</i>-Poly[[[diaquabis{2-[(1<i>H</i>-imidazol-1-yl)methyl]-6-methyl-1<i>H</i>-benzimidazole-κ<i>N</i>^3^}nickel(II)]-μ~2~-benzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^] dihydrate] |
|---|---|
| Formula | C32 H36 N8 Ni O8 |
| Calculated formula | C32 H36 N8 Ni O8 |
| Title of publication | Syntheses, structures and characterization of isomorphous Co^II^and Ni^II^ coordination polymers based on 2-[(1<i>H</i>-imidazol-1-yl)methyl]-6-methyl-1<i>H</i>-benzimidazole and benzene-1,4-dicarboxylate |
| Authors of publication | Huang, Qiu-Ying; Zhao, Yang; Meng, Xiang-Ru |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 8 |
| Pages of publication | 645 - 651 |
| a | 13.192 ± 0.003 Å |
| b | 9.018 ± 0.0018 Å |
| c | 14.67 ± 0.003 Å |
| α | 90° |
| β | 106.84 ± 0.03° |
| γ | 90° |
| Cell volume | 1670.4 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.0442 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.0872 |
| Weighted residual factors for all reflections included in the refinement | 0.0904 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199433 (current) | 2017-08-01 | cif/ hkl/ Adding structures of 2020837, 2020838 via cif-deposit CGI script. |
2020838.cif 2020838.hkl |
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Users of the data should acknowledge the original authors of the
structural data.