Information card for entry 4506779

Structure parameters

• Chemical name: di-dichloromethane solvate
• Formula: C68.85 H98 Cl7.15 F8.55 N4 O16.55 S2.85
• Calculated formula: C68.85 H98 Cl7.15 F8.55 N4 O16.55 S2.85
• Title of publication: Binding Modes of Nonspherical Anions toN-Alkylammonium Resorcinarenes in the Solid State
• Authors of publication: Beyeh, N. Kodiah; Cetina, Mario; Rissanen, Kari
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 4919
• a: 33.447 ± 0.0009 Å
• b: 24.8056 ± 0.0009 Å
• c: 25.2165 ± 0.0008 Å
• α: 90°
• β: 128.917 ± 0.001°
• γ: 90°
• Cell volume: 16278.1 ± 0.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• 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: 0.1747
• Residual factor for significantly intense reflections: 0.1367
• Weighted residual factors for significantly intense reflections: 0.419
• Weighted residual factors for all reflections included in the refinement: 0.4653
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No