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Information card for entry 1557265
Preview
| Coordinates | 1557265.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Hexaaquamagnesium Diliturate Dihydrate |
|---|---|
| Formula | C8 H20 Mg N6 O18 |
| Calculated formula | C8 Mg N6 O18 |
| SMILES | C1(=O)NC([O-])=C(C(=O)N1)N(=O)=O.[Mg]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.C1(=O)NC([O-])=C(C(=O)N1)N(=O)=O.O |
| Title of publication | Crystal Structures of Hexaaquamagnesium Diliturate Dihydrate, Mg(H2O)6(2+)(C4H2N3O5-)2.2H2O and the Isomorphous Calcium Salt |
| Authors of publication | Simonsen, Ole |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1997 |
| Journal volume | 51 |
| Pages of publication | 861 - 864 |
| a | 12.039 ± 0.001 Å |
| b | 12.096 ± 0.001 Å |
| c | 6.741 ± 0.002 Å |
| α | 90° |
| β | 97.86 ± 0.01° |
| γ | 90° |
| Cell volume | 972.4 ± 0.3 Å3 |
| Ambient diffraction temperature | 293 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 significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.036 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247948 (current) | 2020-02-07 | cif/ Adding structures of 1557265 via cif-deposit CGI script. |
1557265.cif |
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