Information card for entry 4346487

Structure parameters

• Formula: C63 H80 Br2 K2 N12 O27
• Calculated formula: C63 H80 Br2 K2 N12 O27
• Title of publication: Cooperatively enhanced ion pair binding with a hybrid receptor.
• Authors of publication: Mäkelä, Toni; Kalenius, Elina; Rissanen, Kari
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 18
• Pages of publication: 9154 - 9165
• a: 14.93502 ± 0.00016 Å
• b: 24.5596 ± 0.0002 Å
• c: 20.95712 ± 0.00019 Å
• α: 90°
• β: 107.635 ± 0.001°
• γ: 90°
• Cell volume: 7325.78 ± 0.13 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No