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Information card for entry 2022355
Preview
| Coordinates | 2022355.cif |
|---|---|
| Structure factors | 2022355.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[[aqua-μ~2~-bromido-di-μ~3~-hydroxido-methanoldinitratotetracopper(II)]-bis{μ~4~-5-[2-(tripropylazaniumyl)ethoxy]benzene-1,3-dicarboxylato}] nitrate] |
|---|---|
| Formula | C39 H64 Br Cu4 N5 O23 |
| Calculated formula | C39 H64 Br Cu4 N5 O23 |
| Title of publication | Three coordination polymers built by quaternary-ammonium-modified isophthalic acid |
| Authors of publication | Wang, Li-Fei; Liu, Xing-Gui; Meng, Mei-Mei; Xu, Yong-Kai; Zhu, Rui; Zhang, Rui; Lu, Zhen-Zhong; Huang, Wei |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 5 |
| Pages of publication | 221 - 226 |
| a | 9.4872 ± 0.0013 Å |
| b | 10.7297 ± 0.0014 Å |
| c | 25.92 ± 0.002 Å |
| α | 89.116 ± 0.003° |
| β | 87.262 ± 0.003° |
| γ | 89.258 ± 0.002° |
| Cell volume | 2635 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0917 |
| Residual factor for significantly intense reflections | 0.0496 |
| Weighted residual factors for significantly intense reflections | 0.0862 |
| Weighted residual factors for all reflections included in the refinement | 0.0917 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266201 (current) | 2021-06-06 | cif/ Updating files of 2022355, 2022356, 2022357 Original log message: Adding full bibliography for 2022355--2022357.cif. |
2022355.cif 2022355.hkl |
| 264029 | 2021-04-10 | cif/ hkl/ Adding structures of 2022355, 2022356, 2022357 via cif-deposit CGI script. |
2022355.cif 2022355.hkl |
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Users of the data should acknowledge the original authors of the
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