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Information card for entry 2022531
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| Coordinates | 2022531.cif |
|---|---|
| Structure factors | 2022531.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[dimethylazanium [bis(μ-pyridine-2,5-dicarboxylato)gadolinium(III)]] |
|---|---|
| Formula | C16 H13 Gd N3 O8 |
| Calculated formula | C16 H13 Gd N3 O8 |
| Title of publication | A three-dimensional gadolinium organic framework based on a pyridinedicarboxylic acid organic linker with a paddle-wheel-type network structure |
| Authors of publication | Tiwari, Ranjay K.; Saini, Mukesh Kumar; Behera, Jogendra N.; Hussain, Firasat |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 2 |
| a | 17.9185 ± 0.0007 Å |
| b | 18.0874 ± 0.0008 Å |
| c | 26.5146 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8593.4 ± 0.6 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 305.34 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 70 |
| Hermann-Mauguin space group symbol | F d d d :2 |
| Hall space group symbol | -F 2uv 2vw |
| Residual factor for all reflections | 0.019 |
| Residual factor for significantly intense reflections | 0.0175 |
| Weighted residual factors for significantly intense reflections | 0.0437 |
| Weighted residual factors for all reflections included in the refinement | 0.0445 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272310 (current) | 2022-01-28 | cif/ hkl/ Adding structures of 2022531 via cif-deposit CGI script. |
2022531.cif 2022531.hkl |
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Users of the data should acknowledge the original authors of the
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