Information card for entry 2021540

Structure parameters

• Chemical name: <i>catena</i>-Poly[[dysprosium(III)-μ~2~-(benzene-1,2-dicarboxylato)-μ~2~-[2-(2,2':6',2''-terpyridin-4'-yl)benzoato]] monohydrate]
• Formula: C30 H20 Dy N3 O7
• Calculated formula: C30 H18 Dy N3 O7
• SMILES: [Dy]123456([n]7ccccc7c7[n]1c(cc(c7)c1ccccc1C1=[O][Dy]789(O1)([n]1ccccc1c1[n]7c(cc(c1)c1ccccc1C(=[O]4)O5)c1[n]8cccc1)OC(=O)c1ccccc1C(=O)O9)c1[n]2cccc1)[O]=C(O[Dy]12457([n]8ccccc8c8[n]1c(cc(c8)c1ccccc1C1=[O][Dy]89%10(O1)([n]1ccccc1c1[n]8c(cc(c1)c1ccccc1C(=[O]5)O7)c1[n]9cccc1)OC(=O)c1ccccc1C(=O)O%10)c1[n]2cccc1)[O]=C(O6)c1ccccc1C(=O)O4)c1ccccc1C(=O)O3.O.O.O.O
• 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: 10.7276 ± 0.0013 Å
• b: 11.6173 ± 0.0014 Å
• c: 12.524 ± 0.002 Å
• α: 103.051 ± 0.002°
• β: 110.504 ± 0.002°
• γ: 106.834 ± 0.002°
• Cell volume: 1302.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes