Information card for entry 4350015

Structure parameters

• Formula: C44 H64 Cl3 N8 O11 Tb
• Calculated formula: C44 H64 Cl3 N8 O11 Tb
• SMILES: [Tb]123456([n]7c8c9[n]1c(C(NCCCC)=[O]4)ccc9ccc8ccc7C(NCCCC)=[O]3)([n]1c3c4[n]2c(C(NCCCC)=[O]6)ccc4ccc3ccc1C(NCCCC)=[O]5)[OH2].[Cl-].[Cl-].[Cl-].O.O.O.O.O.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: 17.7872 ± 0.0005 Å
• b: 15.8545 ± 0.0004 Å
• c: 18.2894 ± 0.0005 Å
• α: 90°
• β: 90.718 ± 0.002°
• γ: 90°
• Cell volume: 5157.3 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1262
• 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: No