Information card for entry 7718019

Structure parameters

• Formula: C8 Cl3 K O12
• Calculated formula: C8.0004 Cl3 K O12
• Title of publication: Three-dimensional perchlorate-based alkali metal hybrid perovskite molecular ferroelastic crystals.
• Authors of publication: Liu, Yu-Si; Xu, Zhe-Kun; Zhang, Jia-Mei; Chen, Xiao-Gang; Qin, Yan; Wang, Zhong-Xia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 4706 - 4714
• a: 7.5234 ± 0.0006 Å
• b: 7.5234 ± 0.0006 Å
• c: 7.5234 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 425.84 ± 0.06 ų
• Cell temperature: 373 ± 0.12 K
• Ambient diffraction temperature: 373 ± 0.12 K
• Number of distinct elements: 4
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.1168
• Residual factor for significantly intense reflections: 0.1093
• Weighted residual factors for significantly intense reflections: 0.2852
• Weighted residual factors for all reflections included in the refinement: 0.2884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No