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Information card for entry 2312584
Preview
| Coordinates | 2312584.cif |
|---|---|
| Structure factors | 2312584.hkl |
| Original IUCr paper | HTML |
| Chemical name | Aqua(2,2'-biimidazole-κ^2^<i>N</i>,<i>N</i>')(malonato-κ^2^<i>O</i>,<i>O</i>')copper(II) dihydrate |
|---|---|
| Formula | C9 H14 Cu N4 O7 |
| Calculated formula | C9 H10 Cu N4 O5 |
| Title of publication | Multivalent hydrogen-bonded architectures directed by self-complementarity between [Cu(2,2'-biimidazole)] and malonate building blocks. |
| Authors of publication | Atencio, Reinaldo; Linares, Marciel M.; González, Teresa; Briceño, Alexander |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 9 |
| a | 7.0587 ± 0.0004 Å |
| b | 20.3107 ± 0.0012 Å |
| c | 18.9523 ± 0.001 Å |
| α | 90° |
| β | 91.77 ± 0.004° |
| γ | 90° |
| Cell volume | 2715.8 ± 0.3 Å3 |
| Cell temperature | 298 ± 0.3 K |
| Ambient diffraction temperature | 298.3 ± 0.3 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0704 |
| Residual factor for significantly intense reflections | 0.0397 |
| Weighted residual factors for significantly intense reflections | 0.0907 |
| Weighted residual factors for all reflections included in the refinement | 0.1079 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| 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 |
|---|---|---|---|
| 294175 (current) | 2024-08-20 | cif/ hkl/ Adding structures of 2312583, 2312584, 2312585, 2312586 via cif-deposit CGI script. |
2312584.cif 2312584.hkl |
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Users of the data should acknowledge the original authors of the
structural data.