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Information card for entry 2312596
Preview
| Coordinates | 2312596.cif |
|---|---|
| Structure factors | 2312596.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[diaqua[μ~5~-2,2'-(1,3,5,7-tetraoxo-1,2,3,5,6,7-hexahydropyrrolo[3,4-<i>f</i>]isoindole-2,6-diyl)diacetato]barium(II)] |
|---|---|
| Formula | C14 H10 Ba N2 O10 |
| Calculated formula | C14 H10 Ba N2 O10 |
| Title of publication | A new three-dimensional barium(II) coordination polymer constructed from N,N'-bis(glycinyl)pyromellitic diimide: microwave-assisted synthesis, structure, Hirshfeld surface analysis and properties. |
| Authors of publication | Ding, Xin Yu; Yu, Hai Yan; Zhang, Hong Tao; Wang, Xiao Long |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 10 |
| a | 7.3856 ± 0.0002 Å |
| b | 8.408 ± 0.0002 Å |
| c | 14.5603 ± 0.0004 Å |
| α | 75.415 ± 0.001° |
| β | 76.628 ± 0.001° |
| γ | 68.377 ± 0.001° |
| Cell volume | 803.76 ± 0.04 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0205 |
| Residual factor for significantly intense reflections | 0.0177 |
| Weighted residual factors for significantly intense reflections | 0.0402 |
| Weighted residual factors for all reflections included in the refinement | 0.0414 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 294356 (current) | 2024-09-04 | cif/ hkl/ Adding structures of 2312596 via cif-deposit CGI script. |
2312596.cif 2312596.hkl |
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Users of the data should acknowledge the original authors of the
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