Information card for entry 2209211

Structure parameters

• Common name: Liq
• Chemical name: cyclo-Tris(μ-quinolin-8-olato)trilithium(I)
• Formula: C54 H36 Li6 N6 O6
• Calculated formula: C54 H36 Li6 N6 O6
• SMILES: [Li]123[O]4(c5c6[n]3cccc6ccc5)[Li]35[O]6(c7c8[n]5cccc8ccc7)[Li]57[O]1(c1c8[n]7cccc8ccc1)[Li]17[O]2(c2c8[n]7cccc8ccc2)[Li]42[O]3(c3c4[n]2cccc4ccc3)[Li]62[O]15c1c3[n]2cccc3ccc1
• Title of publication: Hexakis(μ-quinolin-8-olato)hexalithium(I)]: a centrosymmetric doubly stacked trimer
• Authors of publication: Begley, William J.; Rajeswaran, Manju
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: m1200 - m1202
• a: 9.6725 ± 0.0003 Å
• b: 11.765 ± 0.004 Å
• c: 11.8623 ± 0.0004 Å
• α: 63.043 ± 0.001°
• β: 74.089 ± 0.001°
• γ: 77.357 ± 0.001°
• Cell volume: 1150.1 ± 0.4 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: 0.1374
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes