Information card for entry 7060654

Structure parameters

• Formula: C27 H22 Ag F3 N2 O3 S
• Calculated formula: C27 H22 Ag F3 N2 O3 S
• Title of publication: Positive thermal expansion facilitates the formation of argentophilic forces following an order‒disorder phase transition
• Authors of publication: Juneja, Navkiran; Unruh, Daniel K.; Groeneman, Ryan H.; Hutchins, Kristin M.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 20
• Pages of publication: 8898 - 8901
• a: 22.0819 ± 0.0002 Å
• b: 12.6642 ± 0.0001 Å
• c: 18.3777 ± 0.0002 Å
• α: 90°
• β: 97.712 ± 0.001°
• γ: 90°
• Cell volume: 5092.83 ± 0.08 ų
• Cell temperature: 210.05 ± 0.1 K
• Ambient diffraction temperature: 210.05 ± 0.1 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: 0.0299
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No