Information card for entry 1565273

Structure parameters

• Formula: C73 H46 Cl2 N4 O2 S4
• Calculated formula: C73 H44 Cl2 N4 O2 S4
• Title of publication: Organic Microporous Crystals Driven by Pure C-H‧‧‧π Interactions with Vapors-Induced Crystal-to-Crystal Transformations
• Authors of publication: Tian, Yu; Yang, Jie; Gao, Mingxue; Liu, Zhenjiang; Zhao, M.; Fang, Manman; Li, Zhen
• Journal of publication: Materials Horizons
• Year of publication: 2021
• a: 14.36 ± 0.0002 Å
• b: 14.8334 ± 0.0002 Å
• c: 14.0298 ± 0.0001 Å
• α: 90°
• β: 103.791 ± 0.001°
• γ: 90°
• Cell volume: 2902.3 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0576
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No