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Information card for entry 4003396
Preview
| Coordinates | 4003396.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H24 N3 Ni1.5 O13 |
|---|---|
| Calculated formula | C19 H20 N3 Ni1.5 O13 |
| Title of publication | Modulation of Magnetic Behavior and Hg2+ Removal by Solvent-Assisted Linker Exchange Based on a Water-Stable 3D MOF |
| Authors of publication | Shao, Zhichao; Huang, Chao; Dang, Jian; Wu, Qiong; Liu, Yeye; Ding, Jie; Hou, Hongwei |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2018 |
| Journal volume | 30 |
| Journal issue | 21 |
| Pages of publication | 7979 |
| a | 28.835 ± 0.002 Å |
| b | 10.0088 ± 0.0006 Å |
| c | 21.924 ± 0.003 Å |
| α | 90° |
| β | 128.843 ± 0.002° |
| γ | 90° |
| Cell volume | 4928.2 ± 0.8 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 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 | 0.0691 |
| Residual factor for significantly intense reflections | 0.0608 |
| Weighted residual factors for significantly intense reflections | 0.2025 |
| Weighted residual factors for all reflections included in the refinement | 0.2186 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231570 (current) | 2019-11-22 | cif/ Adding structures of 4003396 via cif-deposit CGI script. |
4003396.cif |
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Users of the data should acknowledge the original authors of the
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