Information card for entry 2238383

Structure parameters

• Chemical name: Triaqua(pyrazole-4-carboxylato-κ<i>N</i>^1^)lithium
• Formula: C4 H9 Li N2 O5
• Calculated formula: C4 H9 Li N2 O5
• SMILES: [O-]C(=O)c1c[n]([nH]c1)[Li]([OH2])([OH2])[OH2]
• Title of publication: Triaqua(pyrazole-4-carboxylato-κ<i>N</i>^1^)lithium
• Authors of publication: Starosta, Wojciech; Leciejewicz, Janusz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: m438
• a: 7.2817 ± 0.0015 Å
• b: 6.9635 ± 0.0014 Å
• c: 15.186 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 770 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes