Information card for entry 7064060

Structure parameters

• Chemical name: bis(N,N'-bis(2-trifluoromethylphenyl)formamidinato)bis(tetrahydrofuran)calcium(II)
• Formula: C38 H34 Ca F12 N4 O2
• Calculated formula: C38 H34 Ca F12 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: 11.9642 ± 0.0009 Å
• b: 19.7079 ± 0.0014 Å
• c: 16.3585 ± 0.0012 Å
• α: 90°
• β: 93.949 ± 0.007°
• γ: 90°
• Cell volume: 3848 ± 0.5 ų
• Cell temperature: 123 ± 0.16 K
• Ambient diffraction temperature: 123 ± 0.16 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: 0.0941
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No