Information card for entry 2003561

Structure parameters

• Common name: Tetra-aqua-magnesium bis(o-hydroxy-trans-cinnamate)
• Formula: C18 H22 Mg O10
• Calculated formula: C18 H22 Mg O10
• SMILES: [Mg](OC(=O)/C=C/c1c(cccc1)O)(OC(=O)/C=C/c1c(cccc1)O)([OH2])([OH2])([OH2])[OH2]
• Title of publication: Sodium 3-(2-Chlorophenyl)propenoate Dihydrate and Tetraaquamagnesium Bis[3-(2-hydroxyphenyl)propenoate]
• Authors of publication: Kariuki, B. M.; Valim, J. B.; Jones, W.; King, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 6
• Pages of publication: 1051 - 1053
• a: 6.025 ± 0.003 Å
• b: 5.385 ± 0.003 Å
• c: 29.991 ± 0.014 Å
• α: 90°
• β: 94.46 ± 0.04°
• γ: 90°
• Cell volume: 970.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for all reflections: 0.1171
• Weighted residual factors for significantly intense reflections: 0.1138
• Goodness-of-fit parameter for all reflections: 1.107
• Goodness-of-fit parameter for significantly intense reflections: 1.177
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No