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Information card for entry 2021540
Preview
| Coordinates | 2021540.cif |
|---|---|
| Structure factors | 2021540.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[dysprosium(III)-μ~2~-(benzene-1,2-dicarboxylato)-μ~2~-[2-(2,2':6',2''-terpyridin-4'-yl)benzoato]] monohydrate] |
|---|---|
| Formula | C30 H20 Dy N3 O7 |
| Calculated formula | C30 H18 Dy N3 O7 |
| SMILES | [Dy]123456([n]7ccccc7c7[n]1c(cc(c7)c1ccccc1C1=[O][Dy]789(O1)([n]1ccccc1c1[n]7c(cc(c1)c1ccccc1C(=[O]4)O5)c1[n]8cccc1)OC(=O)c1ccccc1C(=O)O9)c1[n]2cccc1)[O]=C(O[Dy]12457([n]8ccccc8c8[n]1c(cc(c8)c1ccccc1C1=[O][Dy]89%10(O1)([n]1ccccc1c1[n]8c(cc(c1)c1ccccc1C(=[O]5)O7)c1[n]9cccc1)OC(=O)c1ccccc1C(=O)O%10)c1[n]2cccc1)[O]=C(O6)c1ccccc1C(=O)O4)c1ccccc1C(=O)O3.O.O.O.O |
| Title of publication | Structural investigation of one- and three-dimensional lanthanide(III) coordination polymers based on functionalized terpyridine carboxylate and aromatic dicarboxylate ligands |
| Authors of publication | Bai, Chao; Liu, Bin; Hu, Huai-Ming; Li, Jin-Dian; Wang, Xiaofang; Xue, Ganglin |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 4 |
| Pages of publication | 422 - 432 |
| a | 10.7276 ± 0.0013 Å |
| b | 11.6173 ± 0.0014 Å |
| c | 12.524 ± 0.002 Å |
| α | 103.051 ± 0.002° |
| β | 110.504 ± 0.002° |
| γ | 106.834 ± 0.002° |
| Cell volume | 1302.7 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0308 |
| Residual factor for significantly intense reflections | 0.0289 |
| Weighted residual factors for significantly intense reflections | 0.083 |
| Weighted residual factors for all reflections included in the refinement | 0.0843 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214914 (current) | 2019-05-03 | cif/ Updating files of 2021540, 2021541, 2021542, 2021543, 2021544, 2021545, 2021546, 2021547, 2021548, 2021549 Original log message: Adding full bibliography for 2021540--2021549.cif. |
2021540.cif 2021540.hkl |
| 214249 | 2019-03-21 | cif/ hkl/ Adding structures of 2021540, 2021541, 2021542, 2021543, 2021544, 2021545, 2021546, 2021547, 2021548, 2021549 via cif-deposit CGI script. |
2021540.cif 2021540.hkl |
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Users of the data should acknowledge the original authors of the
structural data.