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Information card for entry 2021043
Preview
| Coordinates | 2021043.cif |
|---|---|
| Structure factors | 2021043.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[tetraaquatetra-μ~2~-acetato-bis(μ~4~-biphenyl-3,3',5,5'-tetracarboxylato)tetrakis(dimethylacetamide)tetraterbium(III)] pentahydrate] |
|---|---|
| Formula | C56 H78 N4 O37 Tb4 |
| Calculated formula | C56 H60 N4 O32 Tb4 |
| Title of publication | Two novel lanthanide(III) organic frameworks based on a biphenyltetracarboxylate ligand: synthesis, structure and magnetic and luminescence properties |
| Authors of publication | Hao, Hongguo; Wang, Yuchen; Yuan, Suxian; Li, Dacheng; Sun, Junshan |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 3 |
| a | 9.3676 ± 0.0007 Å |
| b | 17.6232 ± 0.0014 Å |
| c | 11.3172 ± 0.0009 Å |
| α | 90° |
| β | 94.351 ± 0.002° |
| γ | 90° |
| Cell volume | 1862.9 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0807 |
| Residual factor for significantly intense reflections | 0.0597 |
| Weighted residual factors for significantly intense reflections | 0.146 |
| Weighted residual factors for all reflections included in the refinement | 0.1554 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206691 (current) | 2018-02-28 | cif/ hkl/ Adding structures of 2021043, 2021044 via cif-deposit CGI script. |
2021043.cif 2021043.hkl |
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