Information card for entry 7248826

Structure parameters

• Formula: C7 H13 Cd Cl4 N
• Calculated formula: C7 H13 Cd Cl4 N
• Title of publication: Homochiral Hybrid Hexagonal Antiperovskite Crystals [R and S-3-chloroquinuclidinium]3(CdCl3)(CdCl4)
• Authors of publication: Xu, Zhe-Kun; Zhang, Jia-Mei; Wang, Zhong-Xia
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 7.1351 ± 0.0003 Å
• b: 24.6782 ± 0.0007 Å
• c: 7.2386 ± 0.0003 Å
• α: 90°
• β: 107.239 ± 0.004°
• γ: 90°
• Cell volume: 1217.32 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1247
• Residual factor for significantly intense reflections: 0.1025
• Weighted residual factors for significantly intense reflections: 0.2507
• Weighted residual factors for all reflections included in the refinement: 0.2752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No