Information card for entry 7064062

Structure parameters

• Formula: C174 H168 Ba19 F80 N18 O24
• Calculated formula: C174 H168 Ba19 F80 N18 O24
• Title of publication: New examples of –C–F–Ae (Ae = alkaline earth) and –C–F–K bonding
• Authors of publication: Werner, Daniel; Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 43
• Pages of publication: 18725 - 18734
• a: 35.146 ± 0.005 Å
• b: 35.146 ± 0.005 Å
• c: 21.634 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 23143 ± 6 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No