Information card for entry 4332081

Structure parameters

• Formula: C111 H93 N6 O15 Tb
• Calculated formula: C111 H87 N6 O15 Tb
• SMILES: [Tb]123(Oc4n(nc(c4C(=[O]1)Cc1ccccc1)c1cc(OCc4ccccc4)cc(OCc4ccccc4)c1)c1ccccc1)([O]=C(Cc1ccccc1)c1c(n(nc1c1cc(OCc4ccccc4)cc(OCc4ccccc4)c1)c1ccccc1)O2)(Oc1n(nc(c1C(=[O]3)Cc1ccccc1)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1)c1ccccc1)([OH2])[OH2].O
• Title of publication: Polyaryl Ether Dendrimer with a 4-Phenylacetyl-5-pyrazolone-based Terbium(III) Complex as Core: Synthesis and Photopysical Properties
• Authors of publication: Shen, Li; Shi, Mei; Li, Fuyou; Zhang, Dengqing; Li, Xianghong; Shi, Enxian; Yi, Tao; Du, Yukou; Huang, Chunhui
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 6188 - 6197
• a: 13.374 ± 0.0012 Å
• b: 17.2653 ± 0.0015 Å
• c: 21.2036 ± 0.0018 Å
• α: 92.836 ± 0.001°
• β: 105.269 ± 0.001°
• γ: 91.185 ± 0.001°
• Cell volume: 4714.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0681
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No