Information card for entry 7718025

Structure parameters

• Formula: C7 H15 Cl3 Cs F N2 O12
• Calculated formula: C7 H15 Cl3 Cs F 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: 15.357 ± 0.0002 Å
• b: 10.64331 ± 0.00015 Å
• c: 10.84725 ± 0.00018 Å
• α: 90°
• β: 97.6196 ± 0.0015°
• γ: 90°
• Cell volume: 1757.32 ± 0.05 ų
• Cell temperature: 300 ± 0.1 K
• Ambient diffraction temperature: 300 ± 0.1 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: 0.06
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1697
• Weighted residual factors for all reflections included in the refinement: 0.175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No