Information card for entry 1563534

Structure parameters

• Formula: C4 H11 Cl4 Cr N
• Calculated formula: C4.0008 H11.0022 Cl4.0002 Cr N1.0002
• Title of publication: Coexistence of Magnetic and Electric Orderings in a Divalent Cr2±Based Multiaxial Molecular Ferroelectric
• Authors of publication: Ai, Yong; Sun, Rong; Zeng, Yu-Ling; Liu, Jun-Chao; Tang, Yuan-Yuan; Wang, Bing-Wu; Wang, Zheming; Gao, Song; Xiong, Ren-Gen
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 9.4058 ± 0.001 Å
• b: 9.4058 ± 0.001 Å
• c: 6.6531 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 509.74 ± 0.1 ų
• Cell temperature: 415 ± 2 K
• Ambient diffraction temperature: 415 ± 2 K
• Number of distinct elements: 5
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.1901
• Residual factor for significantly intense reflections: 0.1247
• Weighted residual factors for significantly intense reflections: 0.309
• Weighted residual factors for all reflections included in the refinement: 0.3474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No