Information card for entry 7245750

Structure parameters

• Formula: C3 H11 Cl3 N2 O Pb S
• Calculated formula: C3 H11 Cl3 N2 O Pb S
• Title of publication: Crystal structure of formamidinium–lead–chloride–dimethyl sulfoxide and phase relationship of related crystalline systems
• Authors of publication: Saito, Noriko; Matsushita, Yoshitaka; Ohsawa, Takeo; Segawa, Hiroyo; Ohashi, Naoki
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 9.7289 ± 0.0002 Å
• b: 13.9219 ± 0.0002 Å
• c: 8.9307 ± 0.0002 Å
• α: 90°
• β: 113.773 ± 0.001°
• γ: 90°
• Cell volume: 1106.98 ± 0.04 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0118
• Residual factor for significantly intense reflections: 0.0111
• Weighted residual factors for significantly intense reflections: 0.0264
• Weighted residual factors for all reflections included in the refinement: 0.0267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No