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Information card for entry 2312586
Preview
| Coordinates | 2312586.cif |
|---|---|
| Structure factors | 2312586.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(2,2'-biimidazole-κ^2^<i>N</i>,<i>N</i>')copper(II) bis[bis(2,2'-biimidazole-κ^2^<i>N</i>,<i>N</i>')(2-carboxyacetato-κ<i>O</i>^2^)(malonato-κ<i>O</i>)copper(II)] 13-hydrate |
|---|---|
| Formula | C48 H72 Cu3 N24 O29 |
| Calculated formula | C48 H46 Cu3 N24 O16 |
| 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 | 7.7912 ± 0.0006 Å |
| b | 12.5972 ± 0.001 Å |
| c | 32.481 ± 0.003 Å |
| α | 90° |
| β | 96.802 ± 0.002° |
| γ | 90° |
| Cell volume | 3165.5 ± 0.5 Å3 |
| Cell temperature | 298 ± 0.3 K |
| Ambient diffraction temperature | 298 ± 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 | 0.1565 |
| Residual factor for significantly intense reflections | 0.0699 |
| Weighted residual factors for significantly intense reflections | 0.1409 |
| Weighted residual factors for all reflections included in the refinement | 0.1794 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.7107 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. |
2312586.cif 2312586.hkl |
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Users of the data should acknowledge the original authors of the
structural data.