Information card for entry 7250270

Structure parameters

• Formula: C8 H24.02 B4 F16 N5.34 P1.32
• Calculated formula: C8 H24.0213 B4 F16 N5.344 P1.32267
• 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: 10.3573 ± 0.0001 Å
• b: 10.3573 ± 0.0001 Å
• c: 14.6992 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1576.84 ± 0.04 ų
• Cell temperature: 233 K
• Ambient diffraction temperature: 233 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: 0.0622
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.1635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No