Information card for entry 7232156

Structure parameters

• Formula: C8 H0 I2 N2
• 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: 13.9441 ± 0.0006 Å
• b: 35.2209 ± 0.0015 Å
• c: 8.2173 ± 0.0003 Å
• α: 90°
• β: 90.331 ± 0.001°
• γ: 90°
• Cell volume: 4035.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No