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Information card for entry 2022263
Preview
| Coordinates | 2022263.cif |
|---|---|
| Structure factors | 2022263.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[[μ~2~-1,4-bis(1<i>H</i>-benzimidazol-1-yl)butane](μ~2~-heptanedioato)cadmium(II)] tetrahydrate] |
|---|---|
| Formula | C25 H36 Cd N4 O8 |
| Calculated formula | C25 H36 Cd N4 O8 |
| Title of publication | Two new Cd^II^ MOFs of 1,4-bis(1<i>H</i>-benzimidazol-1-yl)butane and flexible dicarboxylate ligands: luminescence sensing towards Fe^3+^ |
| Authors of publication | Zhao, Fang-Hua; Li, Shi-Yao; Guo, Wen-Yu; Zhao, Zi-Hao; Guo, Xiao-Wen; Li, Yu-Shuo; Fan, Sheng-Qing; Li, Zhong-Lin |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 11 |
| a | 9.0047 ± 0.0008 Å |
| b | 16.5608 ± 0.0017 Å |
| c | 19.4709 ± 0.0018 Å |
| α | 90° |
| β | 107.493 ± 0.004° |
| γ | 90° |
| Cell volume | 2769.3 ± 0.5 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 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 | 0.0801 |
| Residual factor for significantly intense reflections | 0.0512 |
| Weighted residual factors for significantly intense reflections | 0.0812 |
| Weighted residual factors for all reflections included in the refinement | 0.0915 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258572 (current) | 2020-10-23 | cif/ hkl/ Adding structures of 2022263, 2022264 via cif-deposit CGI script. |
2022263.cif 2022263.hkl |
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Users of the data should acknowledge the original authors of the
structural data.