Information card for entry 2234651

Structure parameters

• Chemical name: <i>trans</i>-Diaquabis(1<i>H</i>-imidazol-3-ium-4,5-dicarboxylato- κ^2^<i>O</i>^4^,<i>O</i>^5^)magnesium
• Formula: C10 H10 Mg N4 O10
• Calculated formula: C10 H10 Mg N4 O10
• SMILES: O1C(c2c(C(=O)O[Mg]31([OH2])(OC(=O)c1c(C(=O)O3)[nH]c[nH+]1)[OH2])[nH]c[nH+]2)=O
• Title of publication: <i>trans</i>-Diaquabis(1<i>H</i> imidazolium-4,5-dicarboxylato-κ^2^<i>O</i>^4^,<i>O</i>^5^)magnesium
• Authors of publication: Łuczyńska-Szymczak, Katarzyna; Starosta, Wojciech; Leciejewicz, Janusz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m688
• a: 7.2545 ± 0.0015 Å
• b: 13.847 ± 0.003 Å
• c: 6.9975 ± 0.0014 Å
• α: 90°
• β: 115.46 ± 0.03°
• γ: 90°
• Cell volume: 634.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes