Information card for entry 7044701

Structure parameters

• Formula: C5 H14 Cl3 K N2 O12
• Calculated formula: C5 H14 Cl3 K N2 O12
• Title of publication: Distinct room-temperature dielectric transition in a perchlorate-based organic-inorganic hybrid perovskite
• Authors of publication: Sun, Yu-Ling; Shi, Chao; Zhang, Wen
• Journal of publication: Dalton Transactions
• Year of publication: 2017
• a: 9.603 ± 0.003 Å
• b: 14.769 ± 0.005 Å
• c: 20.786 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2948 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No