Information card for entry 7038567

Structure parameters

• Formula: C117.6 H140.75 F2 K2 N25.45 O51.95
• Calculated formula: C117.6 H140.75 F2 K2 N25.45 O51.95
• Title of publication: Ion pair complexes and anion binding in the solution of a ditopic receptor.
• Authors of publication: Mäkelä, T; Rissanen, K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 15
• Pages of publication: 6481 - 6490
• a: 52.08 ± 0.002 Å
• b: 43.9225 ± 0.0008 Å
• c: 27.7395 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 63454 ± 3 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.2222
• Weighted residual factors for all reflections included in the refinement: 0.2316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No