Information card for entry 7235495

Structure parameters

• Formula: C36 H44 Cl2 N6 O7
• Calculated formula: C36 H44 Cl2 N6 O7
• Title of publication: Bis-triazolium containing macrocycles, pseudorotaxanes and interlocked structures for anion recognition
• Authors of publication: White, Nicholas G.; Lovett, Henry G.; Beer, Paul D.
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 24
• Pages of publication: 12133
• a: 32.984 ± 0.003 Å
• b: 7.9218 ± 0.0009 Å
• c: 31.212 ± 0.003 Å
• α: 90°
• β: 102.499 ± 0.01°
• γ: 90°
• Cell volume: 7962.2 ± 1.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1278
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections: 0.222
• Weighted residual factors for significantly intense reflections: 0.1758
• Weighted residual factors for all reflections included in the refinement: 0.222
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9649
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No