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Information card for entry 2021636
Preview
| Coordinates | 2021636.cif |
|---|---|
| Structure factors | 2021636.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4,4'-Bipyridine-1,1'-diium diaquabis(μ~2~-pyridine-2,6-dicarboxylato)tetrakis(pyridine-2,6-dicarboxylato)bis[4-(pyridin-4-yl)pyridinium]cobalt(II)dieuropium(III) octahydrate |
|---|---|
| Formula | C72 H82 Co Eu2 N12 O42 |
| Calculated formula | C72 H82 Co Eu2 N12 O42 |
| SMILES | [Eu]123456(OC(=O)c7[n]4c(ccc7)C(=O)O1)(OC(=O)c1[n]6c(ccc1)C(=O)O2)OC(=O)c1[n]5c(ccc1)C(=[O]3)O[Co]([OH2])(OC1=[O][Eu]23456(OC(=O)c7[n]4c(ccc7)C(=O)O2)(OC(=O)c2[n]6c(ccc2)C(=O)O3)OC(=O)c2[n]5c1ccc2)([OH2])([n]1ccc(cc1)c1cc[nH+]cc1)[n]1ccc(cc1)c1cc[nH+]cc1.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[nH+]1ccc(cc1)c1cc[nH+]cc1 |
| Title of publication | Synthesis and characterization of two isostructural 3<i>d</i>‒4<i>f</i> coordination compounds based on pyridine-2,6-dicarboxylic acid and 4,4'-bipyridine |
| Authors of publication | Han, Lizhi; Jin, Longyi; Wang, Enbo; Su, Zhongmin |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 6 |
| a | 11.9021 ± 0.0019 Å |
| b | 12.68 ± 0.002 Å |
| c | 14.867 ± 0.002 Å |
| α | 98.597 ± 0.002° |
| β | 99.6 ± 0.002° |
| γ | 102.882 ± 0.002° |
| Cell volume | 2115.5 ± 0.6 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 | 0.0278 |
| Residual factor for significantly intense reflections | 0.0259 |
| Weighted residual factors for significantly intense reflections | 0.0741 |
| Weighted residual factors for all reflections included in the refinement | 0.0754 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215347 (current) | 2019-05-21 | cif/ hkl/ Adding structures of 2021636, 2021637 via cif-deposit CGI script. |
2021636.cif 2021636.hkl |
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