Information card for entry 4115762

Structure parameters

• Formula: C10 H18 F8 I2 N3 O P
• Calculated formula: C10 H18 F8 I2 N3 O P
• 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: 20.312 ± 0.004 Å
• b: 8.679 ± 0.008 Å
• c: 12.045 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2123 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0852
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No