Information card for entry 7064058

Structure parameters

• Formula: C34 H28 F12 K2 N4 O2
• Calculated formula: C34 H28 F12 K2 N4 O2
• 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: 15.5521 ± 0.0007 Å
• b: 14.9796 ± 0.0007 Å
• c: 15.7547 ± 0.0008 Å
• α: 90°
• β: 96.394 ± 0.001°
• γ: 90°
• Cell volume: 3647.5 ± 0.3 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No