Information card for entry 7030906

Structure parameters

• Common name: (1,4,8,11,14,18,23,27-octa-azoniadiaza-6(2,5)-furana-16,25(1,4)-dibenzena bicyclo[9.9.9]nonacosaphane nitrate clathrate) heptanitrate trihydrate
• Formula: C34 H66 N16 O28
• Calculated formula: C34 H60 N16 O28
• Title of publication: Mixing the spacers in azacryptands: effects on halide recognition.
• Authors of publication: Bergamaschi, Greta; Boiocchi, Massimo; Perrone, Maria Lucia; Poggi, Antonio; Viviani, Ivan; Amendola, Valeria
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 29
• Pages of publication: 11352 - 11360
• a: 12.5559 ± 0.0013 Å
• b: 12.7718 ± 0.0013 Å
• c: 17.8881 ± 0.0018 Å
• α: 110.689 ± 0.002°
• β: 91.837 ± 0.002°
• γ: 102.914 ± 0.002°
• Cell volume: 2596.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1808
• Residual factor for significantly intense reflections: 0.1131
• Weighted residual factors for significantly intense reflections: 0.309
• Weighted residual factors for all reflections included in the refinement: 0.3669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No