Information card for entry 2108482

Structure parameters

• Formula: C67 H58 Er4 N6 O30 S2
• Calculated formula: C67 H58 Er4 N6 O30 S2
• Title of publication: Lanthanide coordination polymers based on designed bifunctional 2-(2,2':6',2{^{πrimeπrime}}-terpyridin-4'-yl)benzenesulfonate ligand: syntheses, structural diversity and highly tunable emission
• Authors of publication: Hu, Yi-Chen; Bai, Chao; Hu, Huai-Ming; Li, Chuan-Ti; Zhang, Tian-Hua; Liu, Weisheng
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 5
• a: 39.336 ± 0.004 Å
• b: 8.638 ± 0.0009 Å
• c: 25.594 ± 0.003 Å
• α: 90°
• β: 124.837 ± 0.002°
• γ: 90°
• Cell volume: 7137.9 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes