Information card for entry 7115114

Structure parameters

• Formula: C79 H74 N12 O Zn4
• Calculated formula: C77.94 H66 N12 O Zn4
• 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: 30.806 ± 0.0007 Å
• b: 30.806 ± 0.0007 Å
• c: 30.806 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 29235.2 ± 1.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 206
• Hermann-Mauguin space group symbol: I a -3
• Hall space group symbol: -I 2b 2c 3
• Residual factor for all reflections: 0.1941
• Residual factor for significantly intense reflections: 0.0849
• Weighted residual factors for significantly intense reflections: 0.1987
• Weighted residual factors for all reflections included in the refinement: 0.2608
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No