Information card for entry 4350013

Structure parameters

• Formula: C45 H58 Cl2 N9 O17 Tb
• Calculated formula: C45 H58 Cl2 N9 O17 Tb
• SMILES: [Tb]1234567([n]8c(C(NCCCC)=[O]3)ccc3ccc9c([n]1c(cc9)C(NCCCC)=[O]4)c83)([n]1c(C(NCCCC)=[O]5)ccc3c1c1[n]2c(ccc1cc3)C(NCCCC)=[O]6)ON(=[O]7)=O.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].OC.O
• Title of publication: Syntheses, crystal structures and magnetic properties of a series of luminescent lanthanide complexes containing neutral tetradentate phenanthroline-amide ligands
• Authors of publication: Su, Qian-Qian; Fan, Kun; Jin, Xin-Xin; Huang, Xin-Da; Cheng, Shun-Cheung; Luo, Li-Juan; Li, Yao-Jie; Xiang, Jing; Ko, Chi-Chiu; Zheng, Li-Min; Lau, Tai-Chu
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 6
• Pages of publication: 1442
• a: 11.1117 ± 0.0007 Å
• b: 14.8294 ± 0.0007 Å
• c: 17.051 ± 0.001 Å
• α: 109.676 ± 0.005°
• β: 104.801 ± 0.006°
• γ: 93.316 ± 0.004°
• Cell volume: 2525.7 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0921
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.1965
• Weighted residual factors for all reflections included in the refinement: 0.2107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No