Information card for entry 7232153

Structure parameters

• Formula: C13.2 H9.8 I2 N4.6
• Calculated formula: C8 H2 I2 N2
• Title of publication: Organic molecular tessellations and intertwined double helices assembled by halogen bonding
• Authors of publication: Ng, Chun-Fai; Chow, Hak-Fun; Mak, Thomas C. W.
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 7
• Pages of publication: 1130
• a: 17.5338 ± 0.0008 Å
• b: 10.4983 ± 0.0005 Å
• c: 28.7697 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5295.8 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0552
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No