Information card for entry 7249079

Structure parameters

• Formula: C30 H56 Cl2 N6 O8
• Calculated formula: C30 H56 Cl2 N6 O8
• 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: 10.2231 ± 0.0005 Å
• b: 10.2231 ± 0.0005 Å
• c: 18.5008 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1933.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No