Information card for entry 4327852

Structure parameters

• Formula: C17 H18 N Nd O9 S2
• Calculated formula: C17 H18 N Nd O9 S2
• Title of publication: Lanthanide-Thiophene-2,5-dicarboxylate Frameworks: Ionothermal Synthesis, Helical Structures, Photoluminescent Properties, and Single-Crystal-to-Single-Crystal Guest Exchange
• Authors of publication: Cai-Hong Zhan; Fei Wang; Yao Kang; Jian Zhang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 523 - 530
• a: 11.6005 ± 0.0003 Å
• b: 16.4488 ± 0.0005 Å
• c: 12.0828 ± 0.0004 Å
• α: 90°
• β: 112.295 ± 0.002°
• γ: 90°
• Cell volume: 2133.21 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0617
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No