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Information card for entry 2021988
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| Coordinates | 2021988.cif |
|---|---|
| Structure factors | 2021988.hkl |
| Original IUCr paper | HTML |
| Chemical name | Magnesium carbonate hexahysrate |
|---|---|
| Formula | C2 H24 Mg2 O18 |
| Calculated formula | C2 H24 Mg2 O18 |
| SMILES | C(=O)([O]1[Mg]([OH2])([OH2])([O](C(=O)[O-])[Mg]1([OH2])([OH2])([OH2])[OH2])([OH2])[OH2])[O-].O.O.O.O |
| Title of publication | A new hydrate of magnesium carbonate, MgCO~3~·6H~2~O |
| Authors of publication | Rincke, Christine; Schmidt, Horst; Voigt, Wolfgang |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 3 |
| a | 12.3564 ± 0.0018 Å |
| b | 6.5165 ± 0.0007 Å |
| c | 9.9337 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 799.87 ± 0.17 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 4 |
| Space group number | 55 |
| Hermann-Mauguin space group symbol | P b a m |
| Hall space group symbol | -P 2 2ab |
| Residual factor for all reflections | 0.0356 |
| Residual factor for significantly intense reflections | 0.0287 |
| Weighted residual factors for significantly intense reflections | 0.0796 |
| Weighted residual factors for all reflections included in the refinement | 0.0854 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.178 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280578 (current) | 2023-01-25 | cif/2: Fixing a few Z values and formulae |
2021988.cif 2021988.hkl |
| 248149 | 2020-02-14 | cif/ hkl/ Adding structures of 2021988 via cif-deposit CGI script. |
2021988.cif 2021988.hkl |
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Users of the data should acknowledge the original authors of the
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