Information card for entry 4115761

Structure parameters

• Formula: C6 H8 F4 I2 O2
• Calculated formula: C6 H8.04 F3.96 I2 O2
• Title of publication: Fluorine-Containing Donor-Acceptor Complex: Infinite Chain Formed by Oxygen...Iodine Interaction
• Authors of publication: Qianli Chu; Zhemin Wang; Qichen Huang; Chunhua Yan; Shizheng Zhu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 11069 - 11070
• a: 8.9237 ± 0.001 Å
• b: 8.9237 ± 0.001 Å
• c: 13.4474 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 927.38 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No