Information card for entry 7018281

Structure parameters

• Common name: tetrakis(miu3-6-isoquinolinoxo)-tetrakis (methanol)-tetra- lithium
• Chemical name: tetrakis(miu3-6-isoquinolinoxo)-tetrakis (methanol)-tetra-lithium
• Formula: C40 H40 Li4 N4 O8
• Calculated formula: C40 H40 Li4 N4 O8
• SMILES: [O-]c1cc2ccncc2cc1.OC.[Li+]
• 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: 18.261 ± 0.002 Å
• b: 18.261 ± 0.002 Å
• c: 11.857 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3953.9 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.2207
• Weighted residual factors for all reflections included in the refinement: 0.2391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No