Information card for entry 7250256

Structure parameters

• Formula: C6 H18 I3 N4 P
• Calculated formula: C6 H18 I3 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: 14.1395 ± 0.0005 Å
• b: 14.4681 ± 0.0005 Å
• c: 14.2255 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2910.13 ± 0.17 ų
• Cell temperature: 253 K
• Ambient diffraction temperature: 253 K
• Number of distinct elements: 5
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c e
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0224
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections included in the refinement: 0.0527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No