Information card for entry 7718024

Structure parameters

• Formula: C7 H15 Cl3 F K N2 O12
• Calculated formula: C7 H15 Cl3 F K N2 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: 15.05583 ± 0.00019 Å
• b: 10.39932 ± 0.00012 Å
• c: 10.67058 ± 0.00013 Å
• α: 90°
• β: 96.6675 ± 0.0011°
• γ: 90°
• Cell volume: 1659.4 ± 0.04 ų
• Cell temperature: 299 ± 3 K
• Ambient diffraction temperature: 299 ± 3 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No