Information card for entry 7000562

Structure parameters

• Formula: C19 H45 Li O5 Zn3
• Calculated formula: C19 H45 Li O5 Zn3
• SMILES: [Zn]12([O]3(C(C)C)[Zn]45([O]6(C(C)C)[Zn]3([O]1(C(C)C)[Li]46([O]25C(C)C)[O]1CCCC1)C)C)C
• Title of publication: One-pot synthesis of lithium alkylzinc alkoxo heterocubanes with a LiZn3O4 core as suitable organometallic precursors for Li-containing ZnO nanocrystals
• Authors of publication: Jana, Surajit; Aksu, Yilmaz; Driess, Matthias
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 9
• Pages of publication: 1516 - 1521
• a: 16.946 ± 0.0004 Å
• b: 17.7288 ± 0.0005 Å
• c: 18.2916 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5495.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 0.871
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No