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Information card for entry 2021542
Preview
Coordinates | 2021542.cif |
---|---|
Structure factors | 2021542.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly[[erbium(III)-μ~2~-(benzene-1,2-dicarboxylato)-μ~2~-[2-(2,2':6',2''-terpyridin-4'-yl)benzoato]] monohydrate] |
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Formula | C30 H20 Er N3 O7 |
Calculated formula | C30 H18 Er N3 O7 |
SMILES | [Er]12345(OC(=O)c6ccccc6C(O5)=O)[n]5ccccc5c5[n]1c(c1[n]2cccc1)cc(c5)c1ccccc1C(=[O]1)O[Er]12567([n]1ccccc1c1[n]5c(c5[n]2cccc5)cc(c1)c1ccccc1C(=[O]3)O4)OC(=O)c1ccccc1C(O6)=[O][Er]12345(OC(=O)c6ccccc6C(O5)=[O]7)[n]5ccccc5c5[n]1c(c1[n]2cccc1)cc(c5)c1ccccc1C(=[O]1)O[Er]1256([n]1ccccc1c1[n]5c(c5[n]2cccc5)cc(c1)c1ccccc1C(=[O]3)O4)OC(=O)c1ccccc1C(O6)=O.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 | 10.7193 ± 0.0018 Å |
b | 11.6076 ± 0.0019 Å |
c | 12.511 ± 0.003 Å |
α | 102.958 ± 0.004° |
β | 110.528 ± 0.003° |
γ | 106.984 ± 0.002° |
Cell volume | 1298.2 ± 0.4 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 | 0.0435 |
Residual factor for significantly intense reflections | 0.0358 |
Weighted residual factors for significantly intense reflections | 0.0904 |
Weighted residual factors for all reflections included in the refinement | 0.0948 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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The link is: https://www.crystallography.net/2021542.html
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