Information card for entry 7016965

Structure parameters

• Formula: C7 H4 O8 S Sm
• Calculated formula: C6 H4 N O8 S Sm
• Title of publication: Solvothermal synthesis, crystal structure, and properties of lanthanide-organic frameworks based on thiophene-2,5-dicarboxylic acid.
• Authors of publication: Sun, Ya-Guang; Jiang, Bing; Cui, Tian-Fang; Xiong, Gang; Smet, Philippe F.; Ding, Fu; Gao, En-Jun; Lv, Tian-Yi; Van den Eeckhout, Koen; Poelman, Dirk; Verpoort, Francis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 43
• Pages of publication: 11581 - 11590
• a: 9.946 ± 0.004 Å
• b: 14.42 ± 0.005 Å
• c: 7.675 ± 0.003 Å
• α: 90°
• β: 102.709 ± 0.006°
• γ: 90°
• Cell volume: 1073.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0266
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No