Information card for entry 4509190

Structure parameters

• Formula: C80 H100 N11 O22 Tb
• Calculated formula: C80 H100 N11 O22 Tb
• SMILES: [Tb]1([n]2cccc3c2c2[n]1cccc2cc3)(OC(=O)C[n+]1ccc(cc1)/C=C/c1ccc(N(C)C)cc1)(OC(=O)C[n+]1ccc(cc1)/C=C/c1ccc(N(C)C)cc1)(OC(=O)C[n+]1ccc(cc1)/C=C/c1ccc(N(C)C)cc1)(O)(O)[OH2].[n+]1(CC(=O)[O-])ccc(cc1)/C=C/c1ccc(N(C)C)cc1.N(=O)(=O)[O-].O.O.O.O.O.O.O.O
• Title of publication: Design and Synthesis of Two New Two-Photon Absorbing Pyridine Salts as Ligands and Their Rare Earth Complexes
• Authors of publication: Tian, Yu-Peng; Li, Lin; Zhou, Yong-Hong; Wang, Peng; Zhou, Hong-Ping; Wu, Jie-Ying; Hu, Zhang-Jun; Yang, Jia-Xiang; Kong, Lin; Xu, Gui-Bao; Tao, Xu-Tang; Jiang, Min-Hua
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 1499
• a: 14.83 ± 0.005 Å
• b: 17.692 ± 0.006 Å
• c: 17.974 ± 0.006 Å
• α: 107.338 ± 0.005°
• β: 99.936 ± 0.005°
• γ: 102.501 ± 0.006°
• Cell volume: 4250 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0984
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No