Information card for entry 2018546

Structure parameters

• Chemical name: 4-Carboxypyridinium tetrafluoroborate 18-crown-6 dihydrate clathrate
• Formula: C18 H34 B F4 N O10
• Calculated formula: C18 H34 B F4 N O10
• Title of publication: 4-Carboxypyridinium perchlorate 18-crown-6 dihydrate clathrate and 4-carboxypyridinium tetrafluoroborate 18-crown-6 dihydrate clathrate
• Authors of publication: Shi, Ping-ping; Zhang, Li; Ye, Qiong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o266 - o269
• a: 14.634 ± 0.003 Å
• b: 10.177 ± 0.002 Å
• c: 17.116 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2549.1 ± 0.9 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1095
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1658
• Weighted residual factors for all reflections included in the refinement: 0.1951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes