Information card for entry 7115115

Structure parameters

• Common name: Compound X
• Formula: C44 H59 Li3 N12 O3 Zn3
• Calculated formula: C43.96 H58.92 Li3 N12 O2.99 Zn3
• Title of publication: Selective oxygen capture in lithium zincate chemistry: the syntheses and solid-state structures of (μ-O)Zn4[N(2-C5H4N)Bz]6 and But(μ3-O)Li3(μ6-O)Zn3[N(2-C5H4N)Me]6 (Bz = benzyl)
• Authors of publication: Davies, Robert P.; Linton, David J.; Snaith, Ronald; Wheatley, Andrew E. H.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 18
• Pages of publication: 1819
• a: 16.964 ± 0.002 Å
• b: 16.964 ± 0.002 Å
• c: 16.964 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4881.9 ± 1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.0827
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.2093
• Weighted residual factors for all reflections included in the refinement: 0.2168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No