Information card for entry 7104711

Structure parameters

• Formula: C106 H160 F2 N14 O28
• Calculated formula: C106 H124 F2 N14 O28
• Title of publication: Recognition and complexation of hydrated fluoride anion: F2(H2O)(6)(2-) templated formation of a dimeric capsule of a tripodal amide.
• Authors of publication: Arunachalam, M; Ghosh, Pradyut
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 36
• Pages of publication: 5389 - 5391
• a: 12.9823 ± 0.0007 Å
• b: 20.3519 ± 0.0012 Å
• c: 23.1725 ± 0.0013 Å
• α: 105.659 ± 0.002°
• β: 92.575 ± 0.002°
• γ: 105.648 ± 0.002°
• Cell volume: 5630.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1232
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.2118
• Weighted residual factors for all reflections included in the refinement: 0.257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No