Information card for entry 7125563

Structure parameters

• Formula: C10 H16 I4 N2 Pb S2
• Calculated formula: C10 H16 I4 N2 Pb S2
• Title of publication: (C4H3SCH2NH3)2(CH3NH3)Pb2I7: non-centrosymmetrical crystal structure of a bilayer hybrid perovskite.
• Authors of publication: Zhu, Xu-Hui; Mercier, Nicolas; Riou, Amédée; Blanchard, Philippe; Frère, Pierre
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2002
• Journal issue: 18
• Pages of publication: 2160 - 2161
• a: 8.842 ± 0.002 Å
• b: 8.693 ± 0.001 Å
• c: 28.995 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2228.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No