Information card for entry 7249077

Structure parameters

• Formula: C15 H28 F6 N3 P
• Calculated formula: C15 H28 F6 N3 P
• Title of publication: Anion-π interaction with alkenes: persistent complexes vs irreversible reactions of anions with tetracyanoethylene
• Authors of publication: Odubo, Favour E.; Muthuramesh, Snehashree; Zeller, Matthias; Rosokha, Sergiy
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2024
• a: 10.3526 ± 0.0008 Å
• b: 10.3526 ± 0.0008 Å
• c: 19.1311 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2050.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No