Information card for entry 2016174

Structure parameters

• Chemical name: Tetraaqua-1κO,2κ^3^O-(μ-2,4-dinitrophenolato-1κ^2^O^1^,O^2^:2κO^1^)\ (2,4-dinitrophenolato-1κ^2^O^1^,O^2^)dilithium(I)
• Formula: C12 H14 Li2 N4 O14
• Calculated formula: C12 H14 Li2 N4 O14
• SMILES: [Li]12(Oc3c(cc(cc3)N(=O)=O)N(=[O]1)=O)([O](c1c(cc(cc1)N(=O)=O)N(=[O]2)=O)[Li]([OH2])([OH2])[OH2])[OH2]
• Title of publication: Tetraaqua-1κ<i>O</i>,2κ^3^<i>O</i>-(μ-2,4-dinitrophenolato-1κ^2^<i>O</i>^1^,<i>O</i>^2^:2κ<i>O</i>^1^)(2,4-dinitrophenolato-1κ^2^<i>O</i>^1^,<i>O</i>^2^)dilithium(I): a dinuclear lithium(I) complex
• Authors of publication: Kim, Eun-Ju; Kim, Chong-Hyeak; Yun, Sock-Sung
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m427 - m429
• a: 8.3038 ± 0.0002 Å
• b: 10.1267 ± 0.0003 Å
• c: 11.2984 ± 0.0003 Å
• α: 76.733 ± 0.002°
• β: 79.565 ± 0.002°
• γ: 86.276 ± 0.002°
• Cell volume: 909.16 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0483
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes