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Information card for entry 2021545
Preview
| Coordinates | 2021545.cif |
|---|---|
| Structure factors | 2021545.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[bis(μ~2~-benzene-1,3-dicarboxylato)bis[μ~2~-2-(2,2':6',2''-terpyridin-4'-yl)benzoato]dierbium(III)] |
|---|---|
| Formula | C60 H36 Er2 N6 O12 |
| Calculated formula | C60 H36 Er2 N6 O12 |
| 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 | 10.5716 ± 0.0009 Å |
| b | 21.2401 ± 0.0017 Å |
| c | 11.0692 ± 0.0009 Å |
| α | 90° |
| β | 96.583 ± 0.001° |
| γ | 90° |
| Cell volume | 2469.1 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.029 |
| Residual factor for significantly intense reflections | 0.0274 |
| Weighted residual factors for significantly intense reflections | 0.0655 |
| Weighted residual factors for all reflections included in the refinement | 0.0664 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| 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. |
2021545.cif 2021545.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. |
2021545.cif 2021545.hkl |
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Users of the data should acknowledge the original authors of the
structural data.