Information card for entry 4346489

Structure parameters

• Formula: C123 H143 K4 N25 O57 S2
• Calculated formula: C123 H143 K4 N25 O57 S2
• 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: 17.5359 ± 0.0005 Å
• b: 19.7413 ± 0.0009 Å
• c: 25.8071 ± 0.0007 Å
• α: 106.011 ± 0.003°
• β: 91.507 ± 0.002°
• γ: 115.298 ± 0.004°
• Cell volume: 7656.3 ± 0.6 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123.01 ± 0.1 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: 0.1148
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.2219
• Weighted residual factors for all reflections included in the refinement: 0.2747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No