Information card for entry 1518202

Structure parameters

• Formula: C12 H34 Br2 Li2 O11
• Calculated formula: C12 Br2 Li2 O11
• SMILES: [O]12CC[O]3CC[O]4CCOCCOCC[O](CC1)[Li]2([OH2][Li]34[OH2])([OH2])[OH2].[Br-].[Br-].O
• Title of publication: The crystal structure of 18-crown-6 complexes of hydrated lithium chloride and bromide
• Authors of publication: Chang, Tsing-Lien; Zhao, Ming; Hu, Ning-Hai; Jin, Zhong-Sheng
• Journal of publication: Revue de Chimie Minerale
• Year of publication: 1987
• Journal volume: 24
• Pages of publication: 382 - 390
• a: 18.121 ± 0.005 Å
• b: 9.745 ± 0.002 Å
• c: 16.14 ± 0.003 Å
• α: 90°
• β: 126.74 ± 0.01°
• γ: 90°
• Cell volume: 2284 ± 0.9 ų
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No