Information card for entry 2011590

Structure parameters

• Chemical name: Diaquabis[3,7-dihydro-1H-purine-2,6-dione]lithium(I)
• Formula: C5 H7 Li N4 O4
• Calculated formula: C5 H7 Li N4 O4
• SMILES: [Li]([OH2])([OH2])Oc1[nH]c(=O)c2c(n1)[nH]c[n]2[Li]([OH2])([OH2])Oc1[nH]c(=O)c2c(n1)[nH]cn2
• Title of publication: <i>catena</i>-Poly[[diaqualithium(I)]-μ-[9<i>H</i>-purine-2,6(1<i>H</i>,3<i>H</i>)-dionato-<i>O</i>^2^:<i>N</i>^7^]]
• Authors of publication: Okabe, Nobuo; Tsujita, Michihiro
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 12
• Pages of publication: 1418 - 1419
• a: 5.4017 ± 0.0005 Å
• b: 8.3903 ± 0.0007 Å
• c: 4.6325 ± 0.0004 Å
• α: 102.237 ± 0.007°
• β: 93.676 ± 0.008°
• γ: 104.154 ± 0.006°
• Cell volume: 197.46 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 0.868
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes