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Information card for entry 2312569
Preview
| Coordinates | 2312569.cif |
|---|---|
| Structure factors | 2312569.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetraaquabis(3-carboxypropionato)manganese(II) |
|---|---|
| Formula | C8 H14 Mn O12 |
| Calculated formula | C8 H14 Mn O12 |
| 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 | 5.3263 ± 0.0002 Å |
| b | 7.3743 ± 0.0004 Å |
| c | 9.3688 ± 0.0004 Å |
| α | 109.863 ± 0.004° |
| β | 104.606 ± 0.004° |
| γ | 93.344 ± 0.004° |
| Cell volume | 330.69 ± 0.03 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 | 0.027 |
| Residual factor for significantly intense reflections | 0.0221 |
| Weighted residual factors for significantly intense reflections | 0.0419 |
| Weighted residual factors for all reflections included in the refinement | 0.044 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1693 |
| 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. |
2312569.cif 2312569.hkl |
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Users of the data should acknowledge the original authors of the
structural data.