Information card for entry 7228678

Structure parameters

• Formula: C5 H7 Cd0.5 N2
• Calculated formula: C5 H7 Cd0.5 N2
• Title of publication: Spring-like Motion Caused Large Anisotropic Thermal Expansion in Nonporous M(eim)2 (M=Zn, Cd)
• Authors of publication: Liu, Zhanning; Liu, Chenxi; Li, Qiang; Chen, Jun; Xing, Xianran
• Journal of publication: Phys. Chem. Chem. Phys.
• Year of publication: 2017
• a: 8.6948 ± 0.0001 Å
• b: 8.6948 ± 0.0001 Å
• c: 13.6675 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 894.83 ± 0.02 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 4
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No