Information card for entry 7232154

Structure parameters

• Formula: C9.2 H3.8 I2 N2.6
• 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: 4.3229 ± 0.0014 Å
• b: 13.047 ± 0.004 Å
• c: 29.586 ± 0.009 Å
• α: 90.19 ± 0.008°
• β: 91.77 ± 0.008°
• γ: 95.024 ± 0.008°
• Cell volume: 1661.4 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1134
• Residual factor for significantly intense reflections: 0.0976
• Weighted residual factors for significantly intense reflections: 0.1899
• Weighted residual factors for all reflections included in the refinement: 0.1958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.207
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No