Information card for entry 4326608

Structure parameters

• Formula: C55 H50 B4 F52 N8 O2 Si
• Calculated formula: C55 H52 B4 F52 N8 O2 Si
• Title of publication: Anion Binding in the C3v-Symmetric Cavity of a Protonated Tripodal Amine Receptor: Potentiometric and Single Crystal X-ray Studies
• Authors of publication: Purnandhu Bose; I. Ravikumar; Pradyut Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 10693 - 10702
• a: 13.5797 ± 0.0017 Å
• b: 20.457 ± 0.003 Å
• c: 27.338 ± 0.003 Å
• α: 90°
• β: 99.053 ± 0.002°
• γ: 90°
• Cell volume: 7499.9 ± 1.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1085
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1584
• Weighted residual factors for all reflections included in the refinement: 0.1859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No