Information card for entry 7018285

Structure parameters

• Common name: tetrakis(miu3-5-quinolinoxo)-tetrakis(methanol)-tetra-lithium
• Chemical name: tetrakis(miu3-5-quinolinoxo)- tetrakis(methanol)-tetra-lithium
• Formula: C40 H40 Li4 N4 O8
• Calculated formula: C40 H40 Li4 N4 O8
• SMILES: [O]12(c3c4c(nccc4)ccc3)[Li]3([O]4(c5c6cccnc6ccc5)[Li]5([O](c6c7cccnc7ccc6)([Li]1([O]35c1c3cccnc3ccc1)[OH]C)[Li]24[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: 15.9156 ± 0.0005 Å
• b: 17.0505 ± 0.0007 Å
• c: 16.1674 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4387.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1189
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.165
• Weighted residual factors for all reflections included in the refinement: 0.1864
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No