Information card for entry 1561314

Structure parameters

• Formula: C6 H2 O4 Pb S
• Calculated formula: C6 H2 O4 Pb S
• Title of publication: A 3D metal-organic framework with a pcu net constructed from lead(II) and thiophene-2, 5-dicarboxylic acid: Synthesis, structure and ferroelectric property
• Authors of publication: Lin, Jian-Di; Rong, Cheng; Lv, Ri-Xin; Wang, Zu-Jian; Long, Xi-Fa; Guo, Guo-Cong; Pan, Chun-Yang
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2018
• Journal volume: 257
• Pages of publication: 34 - 39
• a: 17.99 ± 0.005 Å
• b: 5.672 ± 0.0015 Å
• c: 6.8519 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 699.2 ± 0.3 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• Space group number: 26
• Hermann-Mauguin space group symbol: P m c 21
• Hall space group symbol: P 2c -2
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No