Information card for entry 2021543

Structure parameters

• Chemical name: Poly[bis(μ~2~-benzene-1,3-dicarboxylato)bis[μ~2~-2-(2,2':6',2''-terpyridin-4'-yl)benzoato]digadolinium(III)]
• Formula: C60 H36 Gd2 N6 O12
• Calculated formula: C60 H36 Gd2 N6 O12
• Title of publication: Structural investigation of one- and three-dimensional lanthanide(III) coordination polymers based on functionalized terpyridine carboxylate and aromatic dicarboxylate ligands
• Authors of publication: Bai, Chao; Liu, Bin; Hu, Huai-Ming; Li, Jin-Dian; Wang, Xiaofang; Xue, Ganglin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 4
• Pages of publication: 422 - 432
• a: 10.6397 ± 0.0008 Å
• b: 21.2984 ± 0.0017 Å
• c: 11.1255 ± 0.0009 Å
• α: 90°
• β: 97.14 ± 0.001°
• γ: 90°
• Cell volume: 2501.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0197
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.0426
• Weighted residual factors for all reflections included in the refinement: 0.0433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes