Information card for entry 2229135

Structure parameters

• Chemical name: <i>trans</i>-Diaqua(pyridazine-3-carboxylato- κ^2^<i>N</i>^2^,<i>O</i>)lithium
• Formula: C5 H7 Li N2 O4
• Calculated formula: C5 H7 Li N2 O4
• SMILES: O1C(=O)c2[n](nccc2)[Li]1([OH2])[OH2]
• Title of publication: <i>trans</i>-Diaqua(pyridazine-3-carboxylato-κ^2^<i>N</i>^2^,<i>O</i>)lithium
• Authors of publication: Starosta, Wojciech; Leciejewicz, Janusz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m202
• a: 7.462 ± 0.0015 Å
• b: 13.738 ± 0.003 Å
• c: 8.033 ± 0.0016 Å
• α: 90°
• β: 112.27 ± 0.03°
• γ: 90°
• Cell volume: 762.1 ± 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: 0.1104
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes