Information card for entry 7238092

Structure parameters

• Formula: C8 H20 I4 N2 O4 Pb
• Calculated formula: C8 H20 I4 N2 O4 Pb
• Title of publication: (HO2C(CH2)3NH3)2(CH3NH3)Pb2I7: a predicted non-centrosymmetrical structure built up from carboxylic acid supramolecular synthons and bilayer perovskite sheets
• Authors of publication: Mercier, Nicolas
• Journal of publication: CrystEngComm
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 70
• Pages of publication: 429
• a: 8.904 ± 0.001 Å
• b: 9.266 ± 0.001 Å
• c: 24.261 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2001.6 ± 0.4 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: 0.0277
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No