Information card for entry 2239301

Structure parameters

• Chemical name: (μ-Dihydrogen pyrazine-2,3,5,6-tetracarboxylato-κ^6^<i>O</i>^2^,<i>N</i>^1^,<i>O</i>^6^;<i>O</i>^3^,<i>N</i>^4^,<i>O</i>^5^)bis(diaqualithium) monohydrate
• Formula: C8 H12 Li2 N2 O13
• Calculated formula: C8 H12 Li2 N2 O13
• Title of publication: (μ-Dihydrogen pyrazine-2,3,5,6-tetracarboxylato-κ^6^<i>O</i>^2^,<i>N</i>^1^,<i>O</i>^6^;<i>O</i>^3^,<i>N</i>^4^,<i>O</i>^5^)bis(diaqualithium) monohydrate
• Authors of publication: Starosta, Wojciech; Leciejewicz, Janusz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: m172
• a: 6.3807 ± 0.0004 Å
• b: 9.8331 ± 0.0006 Å
• c: 22.1717 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1391.1 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes