Information card for entry 2001158

Structure parameters

• Formula: C16 H20 Li2 O8 Zn
• Calculated formula: C16 H20 Li2 O8 Zn
• SMILES: [Zn](OC(=O)/C=C/C)(OC(=O)/C=C/C)(OC(=O)/C=C/C)OC(=O)/C=C/C.[Li+].[Li+]
• Title of publication: Dilithium zinc crotonate, a mixed-metal sheet polymeric structure
• Authors of publication: Clegg, W.; Hunt, P. A.; Straughan, B. P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 12
• Pages of publication: 2109 - 2112
• a: 10.73 ± 0.002 Å
• b: 21.081 ± 0.004 Å
• c: 9.868 ± 0.002 Å
• α: 90°
• β: 111.62 ± 0.02°
• γ: 90°
• Cell volume: 2075.1 ± 0.8 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for all reflections: 0.1064
• Weighted residual factors for significantly intense reflections: 0.1064
• Goodness-of-fit parameter for all reflections: 1.046
• Goodness-of-fit parameter for significantly intense reflections: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No