Information card for entry 2229392

Structure parameters

• Chemical name: Tetraaqua(2-hydroxyacetato-κ^2^<i>O</i>^1^,<i>O</i>^2^)magnesium nitrate
• Formula: C2 H11 Mg N O10
• Calculated formula: C2 H11 Mg N O10
• SMILES: [Mg]1(OC(C[OH]1)=O)([OH2])([OH2])([OH2])[OH2].N(=O)(=O)[O-]
• Title of publication: Tetraaqua(2-hydroxyacetato-κ^2^<i>O</i>^1^,<i>O</i>^2^)magnesium nitrate
• Authors of publication: Liu, Wen-Jing; Wei, Zhi-Qiang; Yue, Shan-Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: m374
• a: 5.777 ± 0.002 Å
• b: 7.171 ± 0.003 Å
• c: 23.045 ± 0.008 Å
• α: 90°
• β: 92.839 ± 0.004°
• γ: 90°
• Cell volume: 953.5 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0528
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes