Information card for entry 7718026

Structure parameters

• Formula: C7 H15 Cl3 F N2 O12 Rb
• Calculated formula: C7 H15 Cl3 F N2 O12 Rb
• 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: 15.145 ± 0.0006 Å
• b: 10.4572 ± 0.0003 Å
• c: 10.7673 ± 0.0004 Å
• α: 90°
• β: 96.65 ± 0.003°
• γ: 90°
• Cell volume: 1693.79 ± 0.1 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 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: 0.0593
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No