Information card for entry 7001330

Structure parameters

• Formula: C86 H108 F30 N16 O10 S
• Calculated formula: C86 H108 F30 N16 O10 S
• Title of publication: Anion complexation of a pentafluorophenyl-substituted tripodal urea receptor in solution and the solid state: selectivity toward phosphate
• Authors of publication: Ravikumar, I.; Lakshminarayanan, P. S.; Arunachalam, M.; Suresh, E.; Ghosh, Pradyut
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 21
• Pages of publication: 4160 - 4168
• a: 21.2559 ± 0.0015 Å
• b: 19.5053 ± 0.0013 Å
• c: 23.6564 ± 0.0017 Å
• α: 90°
• β: 95.377 ± 0.001°
• γ: 90°
• Cell volume: 9764.8 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0942
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.1798
• Weighted residual factors for all reflections included in the refinement: 0.1893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No