Information card for entry 1565165

Structure parameters

• Formula: C176 H114 Eu2 N24 O18
• Calculated formula: C176 H114 Eu2 N24 O18
• SMILES: c12c3cc4cc5[n]3[Eu]36([n]7c5cccc7)([O]=C(c5ccccc5c5cc(nc(c5)c5ncccc5)c5ncccc5)O6)(OC(=O)c5c(c6cc(nc(c6)c6ncccc6)c6ncccc6)cccc5)([OH2])([n]2cccc1)[O]=C(O3)c1c(c2cc3c5cccc[n]5[Eu]567([O]=C(O5)c5c4cccc5)([n]3c(c2)c2[n]7cccc2)([O]=C(O6)c2c(c3cc(nc(c3)c3ncccc3)c3ncccc3)cccc2)(OC(=O)c2c(c3cc(nc(c3)c3ncccc3)c3ncccc3)cccc2)[OH2])cccc1.OC(=O)c1ccccc1c1cc(c2ccccn2)nc(c1)c1ccccn1.OC(=O)c1c(c2cc(c3ccccn3)nc(c2)c2ccccn2)cccc1
• Title of publication: Construction of visible luminescent lanthanide coordination compounds with different stacking modes based on a carboxylate substituted terpyridyl derivative ligand
• Authors of publication: Bai, Chao; Fu, Xin-Yu; Hu, Huai-Ming; He, Shi; Wang, Xiaofang; Xue, Gang-Lin
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 506
• Pages of publication: 119550
• a: 21.515 ± 0.003 Å
• b: 18.53 ± 0.002 Å
• c: 19.322 ± 0.003 Å
• α: 90°
• β: 107.824 ± 0.003°
• γ: 90°
• Cell volume: 7333.4 ± 1.7 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1722
• Residual factor for significantly intense reflections: 0.1397
• Weighted residual factors for significantly intense reflections: 0.2753
• Weighted residual factors for all reflections included in the refinement: 0.292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.275
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No