Information card for entry 7232155

Structure parameters

• Formula: C10 H5 I2 N3
• 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: 4.2425 ± 0.0006 Å
• b: 23.537 ± 0.004 Å
• c: 24.567 ± 0.004 Å
• α: 111.725 ± 0.005°
• β: 94.131 ± 0.005°
• γ: 93.861 ± 0.005°
• Cell volume: 2261.3 ± 0.6 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.1182
• Residual factor for significantly intense reflections: 0.1002
• Weighted residual factors for significantly intense reflections: 0.2535
• Weighted residual factors for all reflections included in the refinement: 0.269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No