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Information card for entry 2021962
Preview
| Coordinates | 2021962.cif |
|---|---|
| Structure factors | 2021962.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[diaquabis{μ~2~-1,4-bis[(2-methyl-1<i>H</i>-imidazol-1-yl)methyl]benzene}bis(μ~2~-glutarato)dinickel(II)] monohydrate] |
|---|---|
| Formula | C42 H54 N8 Ni2 O11 |
| Calculated formula | C42 H54 N8 Ni2 O11 |
| Title of publication | Two new Ni^II^ and Zn^II^ metal‒organic frameworks of glutarate and 1,4-bis[(2-methyl-1<i>H</i>-imidazol-1-yl)methyl]benzene ligands: syntheses, structures and luminescence sensing properties |
| Authors of publication | Zhao, Fang-Hua; Li, Zhong-Lin; Zhang, Shu-Fang; Han, Jian-Hui; Zhang, Mei; Han, Jun; Lin, Yu-Wen; You, Jin-Mao |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 2 |
| a | 12.188 ± 0.001 Å |
| b | 15.6516 ± 0.001 Å |
| c | 22.7466 ± 0.0019 Å |
| α | 90° |
| β | 95.989 ± 0.003° |
| γ | 90° |
| Cell volume | 4315.5 ± 0.6 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0451 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.0891 |
| Weighted residual factors for all reflections included in the refinement | 0.0945 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246950 (current) | 2020-01-17 | cif/ hkl/ Adding structures of 2021962, 2021963 via cif-deposit CGI script. |
2021962.cif 2021962.hkl |
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Users of the data should acknowledge the original authors of the
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