Information card for entry 2238756

Structure parameters

• Chemical name: <i>catena</i>-Poly[[diaquabis(μ~3~-5-carboxylato-1<i>H</i>-pyrazole-3-carboxylic acid-κ^3^<i>O</i>^3^:<i>O</i>^3^;<i>O</i>^5^)dilithium(I)] monohydrate]
• Formula: C10 H12 Li2 N4 O11
• Calculated formula: C10 H12 Li2 N4 O11
• Title of publication: <i>catena</i>-Poly[[diaquabis(μ~3~-5-carboxylato-1<i>H</i>-pyrazole-3-carboxylic acid-κ^3^<i>O</i>^3^:<i>O</i>^3^;<i>O</i>^5^)dilithium(I)] monohydrate]
• Authors of publication: Starosta, Wojciech; Leciejewicz, Janusz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: m593 - m594
• a: 7.261 ± 0.0015 Å
• b: 7.5835 ± 0.0015 Å
• c: 8.5751 ± 0.0017 Å
• α: 68.38 ± 0.03°
• β: 89.07 ± 0.03°
• γ: 63.66 ± 0.03°
• Cell volume: 387.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No