Information card for entry 4327854

Structure parameters

• Formula: C17 H18 Er N O9 S2
• Calculated formula: C17 H18 Er N 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: 11.614 ± 0.0005 Å
• b: 16.0888 ± 0.0007 Å
• c: 12.0204 ± 0.0006 Å
• α: 90°
• β: 112.699 ± 0.002°
• γ: 90°
• Cell volume: 2072.11 ± 0.17 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: 0.0551
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No