Information card for entry 7106476

Structure parameters

• Formula: C88 H128 F2 N14 O24
• Calculated formula: C88 H121 F2 N14 O24
• Title of publication: Encapsulation of [F4(H2O)10]4? in a dimeric assembly of an unidirectional arene based hexapodal amide receptor
• Authors of publication: M. Arunachalam; Pradyut Ghosh
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 6269
• a: 15.7347 ± 0.0017 Å
• b: 17.1841 ± 0.0018 Å
• c: 19.617 ± 0.002 Å
• α: 101.428 ± 0.003°
• β: 109.835 ± 0.002°
• γ: 99.502 ± 0.003°
• Cell volume: 4732.8 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1236
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.1985
• Weighted residual factors for all reflections included in the refinement: 0.2304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No