Information card for entry 4327858

Structure parameters

• Formula: C39 H48 Cl0 N14 Nd2 O19 S3
• Calculated formula: C39 H48 N14 Nd2 O19 S3
• 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: 17.3413 ± 0.0005 Å
• b: 11.6871 ± 0.0003 Å
• c: 27.8924 ± 0.001 Å
• α: 90°
• β: 115.104 ± 0.003°
• γ: 90°
• Cell volume: 5119 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No