Information card for entry 7238091

Structure parameters

• Formula: C9 H21 I7 N3 O4 Pb2
• Calculated formula: C9 H18 I7 N3 O4 Pb2
• 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: 9.1196 ± 0.0005 Å
• b: 37.326 ± 0.001 Å
• c: 8.8987 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3029.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 41
• Hermann-Mauguin space group symbol: C 2 e b
• Hall space group symbol: C -2ac 2
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No