Information card for entry 4314584

Structure parameters

• Formula: C2 H2 Mg Na O6 P
• Calculated formula: C2 Mg Na O6 P
• SMILES: [Mg+2].O=C([O-])C(O)P(=O)([O-])[O-].[Na+]
• Title of publication: Structural Mapping and Framework Interconversions in 1D, 2D, and 3D Divalent Metal R,S-Hydroxyphosphonoacetate Hybrids
• Authors of publication: Rosario M. P. Colodrero; Pascual Olivera-Pastor; Aurelio Cabeza; Maria Papadaki; Konstantinos D. Demadis; Miguel A. G. Aranda
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 761 - 768
• a: 10.19057 ± 0.0001 Å
• b: 9.69876 ± 0.0001 Å
• c: 10.82375 ± 0.00009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1069.78 ± 0.018 ų
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• RFsqd: 0.06825
• Goodness-of-fit parameter for all reflections: 3.17
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5406 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No