Information card for entry 7248828

Structure parameters

• Formula: C7 H13 Cl2 N
• Calculated formula: C7 H13 Cl2 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: 8.3125 ± 0.0009 Å
• b: 9.4931 ± 0.0009 Å
• c: 11.6083 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 916.03 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No