Information card for entry 2232085

Structure parameters

• Chemical name: <i>catena</i>-Poly[[μ~2~-aqua-diaquabis(μ~4~-pyridazine-3,6-dicarboxylato) tetralithium] monohydrate]
• Formula: C12 H12 Li4 N4 O12
• Calculated formula: C12 H12 Li4 N4 O12
• SMILES: c1(C(=O)[O-])nnc(cc1)C(=O)[O-].[Li+].[Li+].O.O
• Title of publication: <i>catena</i>-Poly[[μ~2~-aqua-diaquabis(μ~4~-pyridazine-3,6-dicarboxylato)tetralithium] monohydrate]
• Authors of publication: Starosta, Wojciech; Leciejewicz, Janusz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: m1455 - m1456
• a: 7.146 ± 0.0014 Å
• b: 10.553 ± 0.002 Å
• c: 11.849 ± 0.002 Å
• α: 74.76 ± 0.03°
• β: 88.84 ± 0.03°
• γ: 82.66 ± 0.03°
• Cell volume: 855 ± 0.3 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: 0.0699
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes