Information card for entry 7203880

Structure parameters

• Formula: C6 H18 Br4 N2 Pb
• Calculated formula: C6 Br4 N2 Pb
• Title of publication: Preparation and characterization of [H3N(CH2)6NH3]PbI4 and similar compounds with a layered perovskite structure
• Authors of publication: Mousdis, G. A.; Papavassiliou, G. C.; Raptopoulou, C. P.; Terzis, A.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2000
• Journal volume: 10
• Journal issue: 2
• Pages of publication: 515
• a: 12.02 ± 0.01 Å
• b: 8.045 ± 0.008 Å
• c: 8.342 ± 0.009 Å
• α: 90°
• β: 105.66 ± 0.03°
• γ: 90°
• Cell volume: 776.7 ± 1.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• 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: 0.0427
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for all reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.0828
• Goodness-of-fit parameter for all reflections: 1.093
• Goodness-of-fit parameter for significantly intense reflections: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No