Information card for entry 7037577

Structure parameters

• Formula: C8 H24 Br4 N2 Pb
• Calculated formula: C8 H24 Br4 N2 Pb
• Title of publication: Sequential structural transitions with distinct dielectric responses in a layered perovskite organic-inorganic hybrid material: [C4H9N]2[PbBr4].
• Authors of publication: Wang, Zhong-Xia; Liao, Wei-Qiang; Ye, Heng-Yun; Zhang, Yi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 47
• Pages of publication: 20406 - 20412
• a: 28.12 ± 0.03 Å
• b: 8.312 ± 0.008 Å
• c: 8.309 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1942 ± 3 ų
• Cell temperature: 393 ± 2 K
• Ambient diffraction temperature: 393 ± 2 K
• Number of distinct elements: 5
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c e
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No