Information card for entry 7228934

Structure parameters

• Formula: C10 H7 F8 I4 N O
• Calculated formula: C10 H7 F8 I4 N O
• Title of publication: Tridentate C–I⋯O−–N+ halogen bonds
• Authors of publication: Topić, Filip; Puttreddy, Rakesh; Rautiainen, J. Mikko; Tuononen, Heikki M.; Rissanen, Kari
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 16.0396 ± 0.0005 Å
• b: 18.4264 ± 0.0004 Å
• c: 20.1968 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5969.2 ± 0.3 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No