Information card for entry 1505745

Structure parameters

• Formula: C14 H28 Cs Li N2 O4
• Calculated formula: C14 H28 Cs Li N2 O4
• SMILES: [Cs-].[Li]12345[O]6CC[N]27CC[O]1CC[N]3(CC[O]4CC6)CC[O]5CC7
• Title of publication: One-dimensional zigzag chains of Cs-: the structures and properties of Li+ (cryptand[2.1.1])Cs- and Cs+ (cryptand[2.2.2])Cs-.
• Authors of publication: Ichimura, Andrew S.; Huang, Rui H.; Xie, Qingshan; Morganelli, Philip; Burns, Amy; Dye, James L.
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2006
• Journal volume: 110
• Journal issue: 25
• Pages of publication: 12293 - 12301
• a: 23.748 ± 0.015 Å
• b: 13.434 ± 0.008 Å
• c: 8.212 ± 0.012 Å
• α: 90°
• β: 75.34 ± 0.09°
• γ: 90°
• Cell volume: 2535 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1677
• Residual factor for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections: 0.3558
• Weighted residual factors for significantly intense reflections: 0.3003
• Goodness-of-fit parameter for all reflections: 1.028
• Goodness-of-fit parameter for significantly intense reflections: 1.131
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No