Information card for entry 7064055

Structure parameters

• Formula: C38 H34 F12 Mg N4 O2
• Calculated formula: C38 H34 F12 Mg 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: 10.007 ± 0.0005 Å
• b: 10.6634 ± 0.0005 Å
• c: 18.3089 ± 0.0008 Å
• α: 82.359 ± 0.004°
• β: 84.624 ± 0.004°
• γ: 72.703 ± 0.004°
• Cell volume: 1845.77 ± 0.16 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No