Information card for entry 7250260

Structure parameters

• Formula: C6 H16 B3 F12 N3.9 P1.1
• Calculated formula: C6 H16 B3 F12 N3.902 P1.098
• Title of publication: Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations
• Authors of publication: Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 18
• Pages of publication: 2824 - 2829
• a: 10.4847 ± 0.0003 Å
• b: 10.4847 ± 0.0003 Å
• c: 14.8469 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1632.1 ± 0.1 ų
• Cell temperature: 391 K
• Ambient diffraction temperature: 391 K
• Number of distinct elements: 6
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.199
• Weighted residual factors for all reflections included in the refinement: 0.222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No