Information card for entry 2227942

Structure parameters

• Chemical name: Bis[[(6-carboxypyridazine-3-carboxylato- κ^2^<i>N</i>^2^,<i>O</i>^3^)lithium]-μ-pentahydrogendioxygen(1+)]
• Formula: C12 H11 Li N4 O10
• Calculated formula: C12 H11 Li N4 O10
• SMILES: c1(ccc(C(=O)O)n[n]12)C(=O)O[Li]21([OH3+])([OH2])OC(=O)c2ccc(C(=O)O)n[n]12
• Title of publication: Bis[[(6-carboxypyridazine-3-carboxylato-κ^2^<i>N</i>^2^,<i>O</i>^3^)lithium]-μ-pentahydrogendioxygen(1+)]
• Authors of publication: Starosta, Wojciech; Leciejewicz, Janusz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m1362 - m1363
• a: 4.903 ± 0.001 Å
• b: 24.64 ± 0.005 Å
• c: 6.602 ± 0.0013 Å
• α: 90°
• β: 111.6 ± 0.03°
• γ: 90°
• Cell volume: 741.6 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1134
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes