Information card for entry 7250263

Structure parameters

• Formula: C6 H18 Br3 N4 P
• Calculated formula: C6 H18 Br3 N4 P
• 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: 13.7833 ± 0.0004 Å
• b: 9.9419 ± 0.0003 Å
• c: 9.6453 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1321.72 ± 0.07 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No