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Information card for entry 2022382
Preview
| Coordinates | 2022382.cif |
|---|---|
| Structure factors | 2022382.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[di-μ-aqua-diaqua(dimethylformamide)[μ~7~-5,5'-methylenebis(2,4,6-trimethylbenzene-1,3-dicarboxylato)]dibarium(II)] trihydrate] |
|---|---|
| Formula | C26 H41 Ba2 N O16 |
| Calculated formula | C26 H39 Ba2 N O16 |
| Title of publication | Novel Ba^2+^ and Pb^2+^ metal‒organic frameworks based on a semi-rigid tetracarboxylic acid: syntheses, structures, topologies and luminescence properties |
| Authors of publication | Sun, Yanwen; Chen, Zhen; Wang, Xiaozhong; Wang, Lei; Yang, Xue; Liang, Xiaoting; Fan, Shuangshuang; Zhang, Peiran |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 6 |
| Pages of publication | 291 - 298 |
| a | 15.826 ± 0.004 Å |
| b | 13.033 ± 0.003 Å |
| c | 16.03 ± 0.004 Å |
| α | 90° |
| β | 93.074 ± 0.004° |
| γ | 90° |
| Cell volume | 3301.6 ± 1.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0382 |
| Residual factor for significantly intense reflections | 0.0315 |
| Weighted residual factors for significantly intense reflections | 0.079 |
| Weighted residual factors for all reflections included in the refinement | 0.0823 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267274 (current) | 2021-07-06 | cif/ Updating files of 2022381, 2022382 Original log message: Adding full bibliography for 2022381--2022382.cif. |
2022382.cif 2022382.hkl |
| 265535 | 2021-05-27 | cif/ hkl/ Adding structures of 2022381, 2022382 via cif-deposit CGI script. |
2022382.cif 2022382.hkl |
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Users of the data should acknowledge the original authors of the
structural data.