Information card for entry 4003239

Structure parameters

• Formula: C8 H26 I8 N4 O2 Pb3
• Calculated formula: C8 H26 I8 N4 O2 Pb3
• Title of publication: Red-to-Black Piezochromism in a Compressible Pb‒I‒SCN Layered Perovskite
• Authors of publication: Umeyama, Daiki; Lin, Yu; Karunadasa, Hemamala I.
• Journal of publication: Chemistry of Materials
• Year of publication: 2016
• Journal volume: 28
• Journal issue: 10
• Pages of publication: 3241
• a: 17.1512 ± 0.0006 Å
• b: 21.8564 ± 0.0007 Å
• c: 4.5358 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1700.31 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.0459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No