Information card for entry 7018282

Structure parameters

• Common name: tetrakis(miu3-6-quinolinoxo)-tetrakis(methanol)-tetra-lithium
• Chemical name: tetrakis(miu3-6-quinolinoxo)- tetrakis(methanol)-tetra-lithium
• Formula: C40 H40 Li4 N4 O8
• Calculated formula: C40 H40 Li4 N4 O8
• SMILES: [O]12(c3ccc4ncccc4c3)[Li]3([O]4(c5cc6c(nccc6)cc5)[Li]5([O](c6cc7c(nccc7)cc6)([Li]14[OH]C)[Li]2([O]35c1cc2c(nccc2)cc1)[OH]C)[OH]C)[OH]C
• Title of publication: Lithium cubane clusters as tetrahedral, square planar, and linear nodes for supramolecular assemblies.
• Authors of publication: Zhao, Xiang; Wu, Tao; Bu, Xianhui; Feng, Pingyun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 14
• Pages of publication: 3902 - 3905
• a: 24.4815 ± 0.0019 Å
• b: 24.8772 ± 0.0017 Å
• c: 17.9408 ± 0.0015 Å
• α: 90°
• β: 133.02°
• γ: 90°
• Cell volume: 7988.5 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1349
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.1986
• Weighted residual factors for all reflections included in the refinement: 0.2362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No