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Information card for entry 2021819
Preview
| Coordinates | 2021819.cif |
|---|---|
| Structure factors | 2021819.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[di-μ-aqua-bis{μ~4~-3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoato-κ^5^<i>O</i>^1^:<i>O</i>^1'^,<i>O</i>^3^:<i>O</i>^5^:<i>O</i>^5'^}bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')tricobalt(II)] diethylamine disolvate tetrahydrate] |
|---|---|
| Formula | C70 H64 Co3 N6 O22 |
| Calculated formula | C66 H42 Co3 N4 O18 |
| Title of publication | Structural diversity, magnetic properties and luminescence of Ni^II^, Co^II^ and Zn^II^ coordination polymers derived from 3,3'-[(5-carboxy-1,3-phenylene)bis(oxy)]dibenzoic acid and 1,10-phenanthroline |
| Authors of publication | Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 12 |
| a | 27.9723 ± 0.0008 Å |
| b | 15.9725 ± 0.0005 Å |
| c | 19.7372 ± 0.001 Å |
| α | 90° |
| β | 132.662 ± 0.0007° |
| γ | 90° |
| Cell volume | 6484.7 ± 0.4 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.05 |
| Residual factor for significantly intense reflections | 0.0372 |
| Weighted residual factors for significantly intense reflections | 0.0927 |
| Weighted residual factors for all reflections included in the refinement | 0.0984 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227694 (current) | 2019-11-13 | cif/ hkl/ Adding structures of 2021818, 2021819, 2021820 via cif-deposit CGI script. |
2021819.cif 2021819.hkl |
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Users of the data should acknowledge the original authors of the
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