Information card for entry 7240173

Structure parameters

• Formula: C42 H57 Br1.5 F9 I3 N3 O3 P1.5
• Calculated formula: C42 H57 Br1.5 F9 I3 N3 O3 P1.5
• Title of publication: Anion templated crystal engineering of halogen bonding tripodal tris(halopyridinium) compounds
• Authors of publication: Foyle, Émer M.; White, Nicholas G.
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 24.671 ± 0.005 Å
• b: 8.876 ± 0.0018 Å
• c: 23.946 ± 0.005 Å
• α: 90°
• β: 101.26 ± 0.03°
• γ: 90°
• Cell volume: 5142.8 ± 1.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1829
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.2165
• Weighted residual factors for all reflections included in the refinement: 0.2833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0269
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No