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Information card for entry 4003398
Preview
| Coordinates | 4003398.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H27 N5 Ni1.5 O13.5 |
|---|---|
| Calculated formula | C19 H23 N5 Ni1.5 O14 |
| 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 | 30.511 ± 0.011 Å |
| b | 10.034 ± 0.003 Å |
| c | 22.747 ± 0.007 Å |
| α | 90° |
| β | 124.442 ± 0.014° |
| γ | 90° |
| Cell volume | 5743 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.058 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.1646 |
| Weighted residual factors for all reflections included in the refinement | 0.1729 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231572 (current) | 2019-11-22 | cif/ Adding structures of 4003398 via cif-deposit CGI script. |
4003398.cif |
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