Information card for entry 7250259

Structure parameters

• Formula: C12.3 Br3 N
• Calculated formula: C12.28 Br3 N
• 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: 7.0028 ± 0.0004 Å
• b: 7.0028 ± 0.0004 Å
• c: 7.0028 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 343.41 ± 0.03 ų
• Cell temperature: 410 K
• Ambient diffraction temperature: 410 K
• Number of distinct elements: 3
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.437
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No