Information card for entry 7018287

Structure parameters

• Common name: tetrakis(miu3-7-isoquinolinoxo)-tetrakis(methanol)-tetra- lithium
• Chemical name: tetrakis(miu3-7-isoquinolinoxo)- tetrakis(methanol)-tetra-lithium
• Formula: C40 H40 Li4 N4 O8
• Calculated formula: C40 H40 Li4 N4 O8
• SMILES: [O]12(c3cc4c(cc3)ccnc4)[Li]3([O]4(c5cc6cnccc6cc5)[Li]5([O](c6cc7c(ccnc7)cc6)([Li]14[OH]C)[Li]2([O]35c1cc2cnccc2cc1)[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: 11.051 ± 0.004 Å
• b: 13.239 ± 0.005 Å
• c: 14.003 ± 0.005 Å
• α: 88.476 ± 0.005°
• β: 82.428 ± 0.004°
• γ: 79.801 ± 0.005°
• Cell volume: 1998.7 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1285
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1807
• Weighted residual factors for all reflections included in the refinement: 0.2065
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No