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Information card for entry 2312572
Preview
| Coordinates | 2312572.cif |
|---|---|
| Structure factors | 2312572.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetraaquabis(3-carboxypropionato)zinc(II) |
|---|---|
| Formula | C8 H14 O12 Zn |
| Calculated formula | C8 H14 O12 Zn |
| Title of publication | Further evaluation of the shape of atomic Hirshfeld surfaces: M...H contacts and homoatomic bonds. |
| Authors of publication | Pinto, Camila B.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L. |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 9 |
| a | 5.2307 ± 0.0002 Å |
| b | 7.3259 ± 0.0003 Å |
| c | 9.2246 ± 0.0003 Å |
| α | 108.753 ± 0.003° |
| β | 104.626 ± 0.003° |
| γ | 93.202 ± 0.003° |
| Cell volume | 320.23 ± 0.02 Å3 |
| Cell temperature | 298.15 K |
| Ambient diffraction temperature | 298.15 K |
| Number of distinct elements | 4 |
| 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 | 0.019 |
| Weighted residual factors for significantly intense reflections | 0.0445 |
| Weighted residual factors for all reflections included in the refinement | 0.0454 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.2217 |
| 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 |
|---|---|---|---|
| 294066 (current) | 2024-08-09 | cif/ hkl/ Adding structures of 2312569, 2312570, 2312571, 2312572 via cif-deposit CGI script. |
2312572.cif 2312572.hkl |
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Users of the data should acknowledge the original authors of the
structural data.