Information card for entry 7043970

Structure parameters

• Formula: C28 H26 F12 N4 O4 S2
• Calculated formula: C28 H26 F12 N4 O4 S2
• Title of publication: Systematic Size Mediated Trapping of Anions of Varied Dimensionality within Dimeric Capsular Assembly of a Flexible Neutral Bis-Urea Platform
• Authors of publication: Manna, Utsab; Kayal, Santanu; Nayak, Biswajit; Das, Gopal
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 9.667 ± 0.0008 Å
• b: 13.2167 ± 0.0011 Å
• c: 13.9113 ± 0.0012 Å
• α: 104.44 ± 0.007°
• β: 92.993 ± 0.007°
• γ: 90.22 ± 0.007°
• Cell volume: 1718.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.121
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1703
• Weighted residual factors for all reflections included in the refinement: 0.2069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No